PD-1/PD-L1-IN-47
HIT107595998
sdf文件结构编辑类似物检索
HIT ID: HIT107595998
Cas No: 1137341-95-7
分子式: C22H28O12
分子量: 484.454
常用名: PD-1/PD-L1-IN-47
氢键受体数 (HBA): 10
氢键供体数 (HBD): 6
LogP: -0.341
IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES: CC(CO[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)C1(O)COC(=O)C1
SMILES: CC(CO[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)C1(O)COC(=O)C1
InChI key: YNPOIPFNQJKGQJ-SALKWGHLSA-N
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