Name: K-Ras-IN-3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218887301
Cas No:3024991-82-7
常用名:K-Ras-IN-3
IUPAC:5-ethynyl-6-fluoro-4-(8-fluoro-4-{[(1S,2S)-2-fluorocyclopropyl](methyl)amino}-2-[(2-methylidene-hexahydro-1H-pyrrolizin-7a-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol; trifluoroacetic acid
IUPAC:5-ethynyl-6-fluoro-4-(8-fluoro-4-{[(1S,2S)-2-fluorocyclopropyl](methyl)amino}-2-[(2-methylidene-hexahydro-1H-pyrrolizin-7a-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol; trifluoroacetic acid
InChI key:PFJYGEUPHPKJBL-NAIKRYSESA-N

分子式:C34H29F6N5O4
分子量:685.627
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.CN([C@H]1C[C@@H]1F)c1nc(OCC23CCCN2CC(=C)C3)nc2c(F)c(ncc12)-c1cc(O)cc2ccc(F)c(C#C)c12
SMILES:OC(=O)C(F)(F)F.CN([C@H]1C[C@@H]1F)c1nc(OCC23CCCN2CC(=C)C3)nc2c(F)c(ncc12)-c1cc(O)cc2ccc(F)c(C#C)c12

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