K-Ras-IN-4
HIT218909535
sdf文件结构编辑类似物检索
HIT ID: HIT218909535
Cas No: 3044773-77-2
分子式: C31H28F4N6O3S
分子量: 640.66
常用名: K-Ras-IN-4
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-[(8S)-17-{[(2R,7aS)-2-fluoro-hexahydro-1H-pyrrolizin-7a-yl]methoxy}-12,14-difluoro-6,10-dioxa-2,16,18-triazatetracyclo[9.7.1.0^{2,8}.0^{15,19}]nonadeca-1(19),11,13,15,17-pentaen-13-yl]-2-amino-7-fluoro-1-benzothiophene-3-carbonitrile
IUPAC: 4-[(8S)-17-{[(2R,7aS)-2-fluoro-hexahydro-1H-pyrrolizin-7a-yl]methoxy}-12,14-difluoro-6,10-dioxa-2,16,18-triazatetracyclo[9.7.1.0^{2,8}.0^{15,19}]nonadeca-1(19),11,13,15,17-pentaen-13-yl]-2-amino-7-fluoro-1-benzothiophene-3-carbonitrile
SMILES: [H][C@@]12COCCCN1c1nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3c(F)c(c(F)c(OC2)c13)-c1ccc(F)c2sc(N)c(C#N)c12
SMILES: [H][C@@]12COCCCN1c1nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3c(F)c(c(F)c(OC2)c13)-c1ccc(F)c2sc(N)c(C#N)c12
InChI key: USYJEDIYXXIGFX-YXERLDLWSA-N
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