ABCG2-IN-1
HIT218851358
sdf文件结构编辑类似物检索
HIT ID: HIT218851358
Cas No: 2559759-40-7
分子式: C26H36N4O4
分子量: 468.598
常用名: ABCG2-IN-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-tert-butyl-3-[(2S,5S,8S)-14-methoxy-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanamide
IUPAC: N-tert-butyl-3-[(2S,5S,8S)-14-methoxy-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanamide
SMILES: [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)NC(C)(C)C)NC2=O
SMILES: [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)NC(C)(C)C)NC2=O
InChI key: MJLGVXCTSMTDEP-JBACZVJFSA-N
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