General Information of the Compound
| Compound ID |
CP0479771
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| Compound Name |
4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-butyronitrile
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| Structure |
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| Formula |
C27H27ClN2O
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| Molecular Weight |
430.979
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| Canonical SMILES |
OC1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H27ClN2O/c28-25-13-11-24(12-14-25)27(31)16-19-30(20-17-27)18-15-26(21-29,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,31H,15-20H2
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| InChIKey |
WQHHIUPVMNFPJC-UHFFFAOYSA-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