General Information of the Compound
| Compound ID |
CP0389590
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| Compound Name |
(1R,5R)-5-[(4-benzylpiperidin-1-yl)methyl]-2,2-diphenylcyclopentan-1-ol
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| Structure |
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| Formula |
C30H35NO
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| Molecular Weight |
425.616
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| Canonical SMILES |
O[C@@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H35NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26,29,32H,16-23H2/t26-,29-/m1/s1
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| InChIKey |
CMNXERCIDWAPPX-GGXMVOPNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound