General Information of the Compound
| Compound ID |
CP0406480
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| Compound Name |
5-(4-Hydroxy-4-naphthalen-2-yl-piperidin-1-yl)-2,2-diphenyl-pentanenitrile
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| Structure |
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| Formula |
C32H32N2O
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| Molecular Weight |
460.621
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| Canonical SMILES |
OC1(CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C32H32N2O/c33-25-31(28-12-3-1-4-13-28,29-14-5-2-6-15-29)18-9-21-34-22-19-32(35,20-23-34)30-17-16-26-10-7-8-11-27(26)24-30/h1-8,10-17,24,35H,9,18-23H2
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| InChIKey |
CTEBIEGHNJYKDL-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