Name: DPM-1003
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219250936
Cas No:3018836-86-4
常用名:DPM-1003
IUPAC:methyl (4R)-4-[(1R,3aS,3bR,4R,5aR,9aS,9bS,11aR)-4-hydroxy-9a,11a-dimethyl-7-[(4-{[(pyridin-3-yl)methyl]amino}butyl)amino]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
IUPAC:methyl (4R)-4-[(1R,3aS,3bR,4R,5aR,9aS,9bS,11aR)-4-hydroxy-9a,11a-dimethyl-7-[(4-{[(pyridin-3-yl)methyl]amino}butyl)amino]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
InChI key:DSEPFENKRHJFCG-DSAGSSSKSA-N

分子式:C35H57N3O3
分子量:567.859
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCCNCc1cccnc1)[C@H](C)CCC(=O)OC
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCCNCc1cccnc1)[C@H](C)CCC(=O)OC

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