text
stringlengths 1
2.03k
| formula
stringlengths 1
25
⌀ | NumHDonors
int64 0
131
⌀ | NumHAcceptors
int64 0
276
⌀ | MolLogP
float64 -98.2
181
⌀ | NumHeteroatoms
int64 0
384
⌀ | RingCount
int64 0
85
⌀ | NumRotatableBonds
int64 0
294
⌀ | NumAromaticBonds
int64 0
432
⌀ | NumAcidGroups
int64 0
48
⌀ | NumBasicGroups
int64 0
56
⌀ | Apol
float64 0.2
1.48k
⌀ |
---|---|---|---|---|---|---|---|---|---|---|---|
Cc1cc(cc(c1C(=O)[O-])C)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C23H25N4O5S- | 3 | 7 | 0.87544 | 10 | 4 | 5 | 11 | 1 | 0 | 68.459825 |
Cc1cc(cc(c1C(=O)[O-])C)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C23H25N4O5S- | 3 | 7 | 0.87544 | 10 | 4 | 5 | 11 | 1 | 0 | 68.459825 |
Cc1cc(cc(c1C(=O)[O-])C)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C23H25N4O5S- | 3 | 7 | 0.87544 | 10 | 4 | 5 | 11 | 1 | 0 | 68.459825 |
Cc1cc(cc(c1C(=O)[O-])C)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C23H25N4O5S- | 3 | 7 | 0.87544 | 10 | 4 | 5 | 11 | 1 | 0 | 68.459825 |
c1c(c(cc(c1F)F)F)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C20H19F3N4O3S | 3 | 5 | 2.3124 | 11 | 4 | 4 | 11 | 0 | 0 | 59.246067 |
c1c(c(cc(c1F)F)F)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C20H19F3N4O3S | 3 | 5 | 2.3124 | 11 | 4 | 4 | 11 | 0 | 0 | 59.246067 |
c1c(c(cc(c1F)F)F)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C20H19F3N4O3S | 3 | 5 | 2.3124 | 11 | 4 | 4 | 11 | 0 | 0 | 59.246067 |
c1c(c(cc(c1F)F)F)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C20H19F3N4O3S | 3 | 5 | 2.3124 | 11 | 4 | 4 | 11 | 0 | 0 | 59.246067 |
c1cc(ccc1c2ccc(=O)[nH]n2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C24H24N6O4S | 4 | 7 | 1.6454 | 11 | 5 | 5 | 17 | 0 | 0 | 70.951032 |
c1cc(ccc1c2ccc(=O)[nH]n2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C24H24N6O4S | 4 | 7 | 1.6454 | 11 | 5 | 5 | 17 | 0 | 0 | 70.951032 |
c1cc(ccc1c2ccc(=O)[nH]n2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C24H24N6O4S | 4 | 7 | 1.6454 | 11 | 5 | 5 | 17 | 0 | 0 | 70.951032 |
c1cc(ccc1c2ccc(=O)[nH]n2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C24H24N6O4S | 4 | 7 | 1.6454 | 11 | 5 | 5 | 17 | 0 | 0 | 70.951032 |
Cc1cccc2c1n[nH]c2C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C22H24N6O3S | 4 | 6 | 2.07982 | 10 | 5 | 4 | 15 | 0 | 0 | 66.629032 |
Cc1cccc2c1n[nH]c2C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C22H24N6O3S | 4 | 6 | 2.07982 | 10 | 5 | 4 | 15 | 0 | 0 | 66.629032 |
Cc1cccc2c1n[nH]c2C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C22H24N6O3S | 4 | 6 | 2.07982 | 10 | 5 | 4 | 15 | 0 | 0 | 66.629032 |
Cc1cccc2c1n[nH]c2C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C22H24N6O3S | 4 | 6 | 2.07982 | 10 | 5 | 4 | 15 | 0 | 0 | 66.629032 |
COc1cc(ccc1CC(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)Cl | C22H25ClN4O4S | 3 | 6 | 2.486 | 10 | 4 | 6 | 11 | 0 | 0 | 68.077825 |
COc1cc(ccc1CC(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)Cl | C22H25ClN4O4S | 3 | 6 | 2.486 | 10 | 4 | 6 | 11 | 0 | 0 | 68.077825 |
COc1cc(ccc1CC(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)Cl | C22H25ClN4O4S | 3 | 6 | 2.486 | 10 | 4 | 6 | 11 | 0 | 0 | 68.077825 |
COc1cc(ccc1CC(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)Cl | C22H25ClN4O4S | 3 | 6 | 2.486 | 10 | 4 | 6 | 11 | 0 | 0 | 68.077825 |
c1cc2c(cc1C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3)C(=O)CC2 | C23H24N4O4S | 3 | 6 | 2.024 | 9 | 5 | 4 | 11 | 0 | 0 | 66.991032 |
c1cc2c(cc1C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3)C(=O)CC2 | C23H24N4O4S | 3 | 6 | 2.024 | 9 | 5 | 4 | 11 | 0 | 0 | 66.991032 |
c1cc2c(cc1C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3)C(=O)CC2 | C23H24N4O4S | 3 | 6 | 2.024 | 9 | 5 | 4 | 11 | 0 | 0 | 66.991032 |
c1cc2c(cc1C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3)C(=O)CC2 | C23H24N4O4S | 3 | 6 | 2.024 | 9 | 5 | 4 | 11 | 0 | 0 | 66.991032 |
Cc1ccc(cc1NC(=O)C)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C23H27N5O4S | 4 | 6 | 2.16192 | 10 | 4 | 5 | 11 | 0 | 0 | 70.091411 |
Cc1ccc(cc1NC(=O)C)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C23H27N5O4S | 4 | 6 | 2.16192 | 10 | 4 | 5 | 11 | 0 | 0 | 70.091411 |
Cc1ccc(cc1NC(=O)C)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C23H27N5O4S | 4 | 6 | 2.16192 | 10 | 4 | 5 | 11 | 0 | 0 | 70.091411 |
Cc1ccc(cc1NC(=O)C)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C23H27N5O4S | 4 | 6 | 2.16192 | 10 | 4 | 5 | 11 | 0 | 0 | 70.091411 |
c1cc2c(c[nH]c2nc1)CCC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H26N6O3S | 4 | 6 | 2.0904 | 10 | 5 | 6 | 15 | 0 | 0 | 69.722618 |
Cc1cc(n2ccc(c2n1)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3)C | C23H26N6O3S | 3 | 7 | 2.15964 | 10 | 5 | 4 | 15 | 0 | 0 | 69.722618 |
c1cc2c(c[nH]c2nc1)CCC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H26N6O3S | 4 | 6 | 2.0904 | 10 | 5 | 6 | 15 | 0 | 0 | 69.722618 |
Cc1cc(n2ccc(c2n1)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3)C | C23H26N6O3S | 3 | 7 | 2.15964 | 10 | 5 | 4 | 15 | 0 | 0 | 69.722618 |
c1cc2c(c[nH]c2nc1)CCC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H26N6O3S | 4 | 6 | 2.0904 | 10 | 5 | 6 | 15 | 0 | 0 | 69.722618 |
Cc1cc(n2ccc(c2n1)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3)C | C23H26N6O3S | 3 | 7 | 2.15964 | 10 | 5 | 4 | 15 | 0 | 0 | 69.722618 |
Cc1cc(n2ccc(c2n1)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3)C | C23H26N6O3S | 3 | 7 | 2.15964 | 10 | 5 | 4 | 15 | 0 | 0 | 69.722618 |
c1cc2c(c[nH]c2nc1)CCC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H26N6O3S | 4 | 6 | 2.0904 | 10 | 5 | 6 | 15 | 0 | 0 | 69.722618 |
CC(C)(C)OC(=O)N(C)CCCC(=O)N[C@H]1CCc2c(sc(n2)NC(=O)[C@@H]3CCNC(=O)C3)C1 | C23H35N5O5S | 3 | 7 | 2.2284 | 11 | 3 | 7 | 5 | 0 | 0 | 76.227755 |
CC(C)(C)OC(=O)N(C)CCCC(=O)N[C@H]1CCc2c(sc(n2)NC(=O)[C@H]3CCNC(=O)C3)C1 | C23H35N5O5S | 3 | 7 | 2.2284 | 11 | 3 | 7 | 5 | 0 | 0 | 76.227755 |
CC(C)(C)OC(=O)N(C)CCCC(=O)N[C@@H]1CCc2c(sc(n2)NC(=O)[C@@H]3CCNC(=O)C3)C1 | C23H35N5O5S | 3 | 7 | 2.2284 | 11 | 3 | 7 | 5 | 0 | 0 | 76.227755 |
CC(C)(C)OC(=O)N(C)CCCC(=O)N[C@@H]1CCc2c(sc(n2)NC(=O)[C@H]3CCNC(=O)C3)C1 | C23H35N5O5S | 3 | 7 | 2.2284 | 11 | 3 | 7 | 5 | 0 | 0 | 76.227755 |
c1ccc(c(c1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)OC(F)F | C21H22F2N4O4S | 3 | 6 | 2.4965 | 11 | 4 | 6 | 11 | 0 | 0 | 63.251446 |
c1ccc(c(c1)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)OC(F)F | C21H22F2N4O4S | 3 | 6 | 2.4965 | 11 | 4 | 6 | 11 | 0 | 0 | 63.251446 |
c1ccc(c(c1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)OC(F)F | C21H22F2N4O4S | 3 | 6 | 2.4965 | 11 | 4 | 6 | 11 | 0 | 0 | 63.251446 |
c1ccc(c(c1)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)OC(F)F | C21H22F2N4O4S | 3 | 6 | 2.4965 | 11 | 4 | 6 | 11 | 0 | 0 | 63.251446 |
Cc1cc(c(cc1C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)OC)OC | C23H28N4O5S | 3 | 7 | 2.22072 | 10 | 4 | 6 | 11 | 0 | 0 | 70.460204 |
c1c(cc(c(c1C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)F)F)F | C20H19F3N4O3S | 3 | 5 | 2.3124 | 11 | 4 | 4 | 11 | 0 | 0 | 59.246067 |
Cc1cc(c(cc1C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)OC)OC | C23H28N4O5S | 3 | 7 | 2.22072 | 10 | 4 | 6 | 11 | 0 | 0 | 70.460204 |
c1c(cc(c(c1C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)F)F)F | C20H19F3N4O3S | 3 | 5 | 2.3124 | 11 | 4 | 4 | 11 | 0 | 0 | 59.246067 |
Cc1cc(c(cc1C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)OC)OC | C23H28N4O5S | 3 | 7 | 2.22072 | 10 | 4 | 6 | 11 | 0 | 0 | 70.460204 |
c1c(cc(c(c1C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)F)F)F | C20H19F3N4O3S | 3 | 5 | 2.3124 | 11 | 4 | 4 | 11 | 0 | 0 | 59.246067 |
Cc1cc(c(cc1C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)OC)OC | C23H28N4O5S | 3 | 7 | 2.22072 | 10 | 4 | 6 | 11 | 0 | 0 | 70.460204 |
c1c(cc(c(c1C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)F)F)F | C20H19F3N4O3S | 3 | 5 | 2.3124 | 11 | 4 | 4 | 11 | 0 | 0 | 59.246067 |
COc1cccc2c1c(c[nH]2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H25N5O4S | 4 | 6 | 2.385 | 10 | 5 | 5 | 15 | 0 | 0 | 68.757825 |
COc1cccc2c1c(c[nH]2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H25N5O4S | 4 | 6 | 2.385 | 10 | 5 | 5 | 15 | 0 | 0 | 68.757825 |
COc1cccc2c1c(c[nH]2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H25N5O4S | 4 | 6 | 2.385 | 10 | 5 | 5 | 15 | 0 | 0 | 68.757825 |
COc1cccc2c1c(c[nH]2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H25N5O4S | 4 | 6 | 2.385 | 10 | 5 | 5 | 15 | 0 | 0 | 68.757825 |
c1cc(c(cc1Br)O)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C20H21BrN4O4S | 4 | 6 | 2.3632 | 10 | 4 | 4 | 11 | 0 | 0 | 62.760653 |
c1cc(c(cc1Br)O)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C20H21BrN4O4S | 4 | 6 | 2.3632 | 10 | 4 | 4 | 11 | 0 | 0 | 62.760653 |
c1cc(c(cc1Br)O)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C20H21BrN4O4S | 4 | 6 | 2.3632 | 10 | 4 | 4 | 11 | 0 | 0 | 62.760653 |
c1cc(c(cc1Br)O)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C20H21BrN4O4S | 4 | 6 | 2.3632 | 10 | 4 | 4 | 11 | 0 | 0 | 62.760653 |
CCOC(=O)c1ccc(cc1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C23H26N4O5S | 3 | 7 | 2.0718 | 10 | 4 | 6 | 11 | 0 | 0 | 69.126618 |
CCOC(=O)c1ccc(cc1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C23H26N4O5S | 3 | 7 | 2.0718 | 10 | 4 | 6 | 11 | 0 | 0 | 69.126618 |
CCOC(=O)c1ccc(cc1)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C23H26N4O5S | 3 | 7 | 2.0718 | 10 | 4 | 6 | 11 | 0 | 0 | 69.126618 |
CCOC(=O)c1ccc(cc1)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C23H26N4O5S | 3 | 7 | 2.0718 | 10 | 4 | 6 | 11 | 0 | 0 | 69.126618 |
CS(=O)(=O)Cc1ccc(cn1)C(=O)N2CCC(CC2)[C@@H]3CCCCN3C(=O)c4cc(=O)cco4 | C24H29N3O6S | 0 | 7 | 2.1265 | 10 | 4 | 5 | 12 | 0 | 0 | 72.588997 |
CS(=O)(=O)Cc1ccc(cn1)C(=O)N2CCC(CC2)[C@H]3CCCCN3C(=O)c4cc(=O)cco4 | C24H29N3O6S | 0 | 7 | 2.1265 | 10 | 4 | 5 | 12 | 0 | 0 | 72.588997 |
CC(C)(C)OC(=O)N[C@@H](COC)C(=O)N1CCC(CC1)[C@@H]2CCCCN2C(=O)c3cc(=O)cco3 | C25H37N3O7 | 1 | 7 | 2.4128 | 10 | 3 | 6 | 6 | 0 | 0 | 77.585341 |
CC(C)(C)OC(=O)N[C@H](COC)C(=O)N1CCC(CC1)[C@@H]2CCCCN2C(=O)c3cc(=O)cco3 | C25H37N3O7 | 1 | 7 | 2.4128 | 10 | 3 | 6 | 6 | 0 | 0 | 77.585341 |
CC(C)(C)OC(=O)N[C@@H](COC)C(=O)N1CCC(CC1)[C@H]2CCCCN2C(=O)c3cc(=O)cco3 | C25H37N3O7 | 1 | 7 | 2.4128 | 10 | 3 | 6 | 6 | 0 | 0 | 77.585341 |
CC(C)(C)OC(=O)N[C@H](COC)C(=O)N1CCC(CC1)[C@H]2CCCCN2C(=O)c3cc(=O)cco3 | C25H37N3O7 | 1 | 7 | 2.4128 | 10 | 3 | 6 | 6 | 0 | 0 | 77.585341 |
c1c[nH]c2c1cc(cn2)CCC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H26N6O3S | 4 | 6 | 2.0904 | 10 | 5 | 6 | 15 | 0 | 0 | 69.722618 |
c1c[nH]c2c1cc(cn2)CCC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H26N6O3S | 4 | 6 | 2.0904 | 10 | 5 | 6 | 15 | 0 | 0 | 69.722618 |
c1c[nH]c2c1cc(cn2)CCC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H26N6O3S | 4 | 6 | 2.0904 | 10 | 5 | 6 | 15 | 0 | 0 | 69.722618 |
c1c[nH]c2c1cc(cn2)CCC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H26N6O3S | 4 | 6 | 2.0904 | 10 | 5 | 6 | 15 | 0 | 0 | 69.722618 |
C[C@@H](C(=O)N[C@@H]1CCc2c(sc(n2)NC(=O)[C@@H]3CCNC(=O)C3)C1)Sc4ccccn4 | C21H25N5O3S2 | 3 | 7 | 2.1571 | 10 | 4 | 6 | 11 | 0 | 0 | 67.335825 |
C[C@@H](C(=O)N[C@H]1CCc2c(sc(n2)NC(=O)[C@H]3CCNC(=O)C3)C1)Sc4ccccn4 | C21H25N5O3S2 | 3 | 7 | 2.1571 | 10 | 4 | 6 | 11 | 0 | 0 | 67.335825 |
C[C@@H](C(=O)N[C@@H]1CCc2c(sc(n2)NC(=O)[C@H]3CCNC(=O)C3)C1)Sc4ccccn4 | C21H25N5O3S2 | 3 | 7 | 2.1571 | 10 | 4 | 6 | 11 | 0 | 0 | 67.335825 |
C[C@@H](C(=O)N[C@H]1CCc2c(sc(n2)NC(=O)[C@@H]3CCNC(=O)C3)C1)Sc4ccccn4 | C21H25N5O3S2 | 3 | 7 | 2.1571 | 10 | 4 | 6 | 11 | 0 | 0 | 67.335825 |
COc1cc(c(c(c1)F)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)F | C21H22F2N4O4S | 3 | 6 | 2.1819 | 11 | 4 | 5 | 11 | 0 | 0 | 63.251446 |
COc1cc(c(c(c1)F)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)F | C21H22F2N4O4S | 3 | 6 | 2.1819 | 11 | 4 | 5 | 11 | 0 | 0 | 63.251446 |
COc1cc(c(c(c1)F)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)F | C21H22F2N4O4S | 3 | 6 | 2.1819 | 11 | 4 | 5 | 11 | 0 | 0 | 63.251446 |
COc1cc(c(c(c1)F)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)F | C21H22F2N4O4S | 3 | 6 | 2.1819 | 11 | 4 | 5 | 11 | 0 | 0 | 63.251446 |
COc1c(ccc(c1F)F)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C21H22F2N4O4S | 3 | 6 | 2.1819 | 11 | 4 | 5 | 11 | 0 | 0 | 63.251446 |
COc1c(ccc(c1F)F)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C21H22F2N4O4S | 3 | 6 | 2.1819 | 11 | 4 | 5 | 11 | 0 | 0 | 63.251446 |
COc1c(ccc(c1F)F)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C21H22F2N4O4S | 3 | 6 | 2.1819 | 11 | 4 | 5 | 11 | 0 | 0 | 63.251446 |
COc1c(ccc(c1F)F)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C21H22F2N4O4S | 3 | 6 | 2.1819 | 11 | 4 | 5 | 11 | 0 | 0 | 63.251446 |
c1cc(ccc1c2[nH]ccn2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H24N6O3S | 4 | 6 | 2.2852 | 10 | 5 | 5 | 16 | 0 | 0 | 68.389032 |
c1cc(ccc1c2[nH]ccn2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H24N6O3S | 4 | 6 | 2.2852 | 10 | 5 | 5 | 16 | 0 | 0 | 68.389032 |
c1cc(ccc1c2[nH]ccn2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H24N6O3S | 4 | 6 | 2.2852 | 10 | 5 | 5 | 16 | 0 | 0 | 68.389032 |
c1cc(ccc1c2[nH]ccn2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H24N6O3S | 4 | 6 | 2.2852 | 10 | 5 | 5 | 16 | 0 | 0 | 68.389032 |
c1cc2c(cc1C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3)CCCO2 | C23H26N4O4S | 3 | 6 | 2.2201 | 9 | 5 | 4 | 11 | 0 | 0 | 68.324618 |
c1cc2c(cc1C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3)CCCO2 | C23H26N4O4S | 3 | 6 | 2.2201 | 9 | 5 | 4 | 11 | 0 | 0 | 68.324618 |
c1cc2c(cc1C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3)CCCO2 | C23H26N4O4S | 3 | 6 | 2.2201 | 9 | 5 | 4 | 11 | 0 | 0 | 68.324618 |
c1cc2c(cc1C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3)CCCO2 | C23H26N4O4S | 3 | 6 | 2.2201 | 9 | 5 | 4 | 11 | 0 | 0 | 68.324618 |
Cc1c(cc(cc1OC)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)OC | C23H28N4O5S | 3 | 7 | 2.22072 | 10 | 4 | 6 | 11 | 0 | 0 | 70.460204 |
Cc1c(cc(cc1OC)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)OC | C23H28N4O5S | 3 | 7 | 2.22072 | 10 | 4 | 6 | 11 | 0 | 0 | 70.460204 |
Cc1c(cc(cc1OC)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)OC | C23H28N4O5S | 3 | 7 | 2.22072 | 10 | 4 | 6 | 11 | 0 | 0 | 70.460204 |
Cc1c(cc(cc1OC)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)OC | C23H28N4O5S | 3 | 7 | 2.22072 | 10 | 4 | 6 | 11 | 0 | 0 | 70.460204 |
CC(C)(C)OC(=O)NCC(C)(C)C(=O)N[C@H]1CCc2c(sc(n2)NC(=O)[C@H]3CCNC(=O)C3)C1 | C23H35N5O5S | 4 | 7 | 2.1322 | 11 | 3 | 6 | 5 | 0 | 0 | 76.227755 |
CC(C)(C)OC(=O)NCC(C)(C)C(=O)N[C@H]1CCc2c(sc(n2)NC(=O)[C@@H]3CCNC(=O)C3)C1 | C23H35N5O5S | 4 | 7 | 2.1322 | 11 | 3 | 6 | 5 | 0 | 0 | 76.227755 |