General Information of the Compound
| Compound ID |
CP0457147
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| Compound Name |
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-methyl-2-phenyl-pentanenitrile
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| Structure |
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| Formula |
C23H27ClN2O
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| Molecular Weight |
382.935
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| Canonical SMILES |
CC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(C#N)c1ccccc1
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| InChI |
InChI=1S/C23H27ClN2O/c1-22(18-25,19-6-3-2-4-7-19)12-5-15-26-16-13-23(27,14-17-26)20-8-10-21(24)11-9-20/h2-4,6-11,27H,5,12-17H2,1H3
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| InChIKey |
AICXYDNEZWNITF-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