INY-03-041
HIT212672348
sdf文件结构编辑类似物检索
HIT ID: HIT212672348
Cas No:
分子式: C44H56ClN7O5
分子量: 798.43
常用名: INY-03-041
氢键受体数 (HBA): 9
氢键供体数 (HBD): 3
LogP: 5.867615
IUPAC: 3-[4-(10-{[(2S)-2-(4-chlorophenyl)-3-{4-[(5R,7R)-7-hydroxy-5-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-oxopropyl]amino}decyl)-1-oxo-2,3-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
IUPAC: 3-[4-(10-{[(2S)-2-(4-chlorophenyl)-3-{4-[(5R,7R)-7-hydroxy-5-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-oxopropyl]amino}decyl)-1-oxo-2,3-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES: C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCCCCCCCCCCc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)c3ccc(Cl)cc3)c12
SMILES: C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCCCCCCCCCCc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)c3ccc(Cl)cc3)c12
InChI key: GQGZWBDNMCIYSF-OZDCPDTESA-N
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