Name: SHP389
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323209
Cas No:2235394-90-6
常用名:SHP389
别名:SHP 389
IUPAC:6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
IUPAC:6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
InChI key:URUPFUYPXLMTMT-KPZWWZAWSA-N

分子式:C23H29ClN8O2
分子量:484.99
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1OCC2(CCN(CC2)c2nc3n[nH]c(-c4ccnc(NC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N
SMILES:C[C@@H]1OCC2(CCN(CC2)c2nc3n[nH]c(-c4ccnc(NC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N

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