General Information of the Compound
| Compound ID |
CP0498291
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| Compound Name |
4-(3-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile
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| Structure |
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| Formula |
C21H24N2O
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| Molecular Weight |
320.436
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| Canonical SMILES |
OC1CCCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1
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| InChI |
InChI=1S/C21H24N2O/c22-17-21(18-8-3-1-4-9-18,19-10-5-2-6-11-19)13-15-23-14-7-12-20(24)16-23/h1-6,8-11,20,24H,7,12-16H2
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| InChIKey |
QUCDHLYUTQBEOV-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