Axelopran
HIT212714918
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HIT ID: HIT212714918
Cas No: 949904-48-7
分子式: C26H39N3O4
分子量: 457.615
常用名: Axelopran
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 1.9017589
IUPAC: 3-[(1R,3R,5S)-8-{2-[(2S)-N-(cyclohexylmethyl)-2,3-dihydroxypropanamido]ethyl}-8-azabicyclo[3.2.1]octan-3-yl]benzamide
IUPAC: 3-[(1R,3R,5S)-8-{2-[(2S)-N-(cyclohexylmethyl)-2,3-dihydroxypropanamido]ethyl}-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILES: NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO |TLB:17:16:12.13:10.15.9|
SMILES: NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO |TLB:17:16:12.13:10.15.9|
InChI key: ATLYLVPZNWDJBW-KIHHCIJBSA-N
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