Pachysamine M
HIT213886645
sdf文件结构编辑类似物检索
HIT ID: HIT213886645
Cas No: 1253202-75-3
分子式: C28H44N2O2
分子量: 440.672
常用名: Pachysamine M
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-[(1S)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-6-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enamide
IUPAC: N-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-[(1S)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-6-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enamide
SMILES: [#6]-[#6@@H](-[#6@H]1-[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6](=O)-[#6](-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])=[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7](-[#6])-[#6] |c:19|
SMILES: [#6]-[#6@@H](-[#6@H]1-[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6](=O)-[#6](-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])=[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7](-[#6])-[#6] |c:19|
InChI key: FPBGDMGTAHIUMI-ULXDPTIJSA-N
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TargetMol
SC
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AnyMole
SC
5150 购物车
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