PD1-PDL1-IN 1
HIT212666437
sdf文件结构编辑类似物检索
HIT ID: HIT212666437
Cas No: 2005454-12-4
分子式: C14H23N7O6
分子量: 385.381
常用名: PD1-PDL1-IN 1
氢键受体数 (HBA): 9
氢键供体数 (HBD): 6
LogP: -5.1260552
IUPAC: (2S,3R)-2-({[(1S)-2-carbamoyl-1-[3-(piperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl}amino)-3-hydroxybutanoic acid
IUPAC: (2S,3R)-2-({[(1S)-2-carbamoyl-1-[3-(piperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl}amino)-3-hydroxybutanoic acid
SMILES: C[C@@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nc(no1)N1CCNCC1)C(O)=O
SMILES: C[C@@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nc(no1)N1CCNCC1)C(O)=O
InChI key: RKAIKBRLPZSBRN-WEDXCCLWSA-N
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