General Information of the Compound
| Compound ID |
CP0377863
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| Compound Name |
4-[1-(4-Cyano-4,4-diphenyl-butyl)-4-hydroxy-piperidin-4-yl]-benzonitrile
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| Structure |
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| Formula |
C29H29N3O
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| Molecular Weight |
435.571
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| Canonical SMILES |
OC1(CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C29H29N3O/c30-22-24-12-14-27(15-13-24)29(33)17-20-32(21-18-29)19-7-16-28(23-31,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-15,33H,7,16-21H2
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| InChIKey |
SMLYXACROHVGEK-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