General Information of the Compound
| Compound ID |
CP0541527
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| Compound Name |
1-(4-Cyano-4,4-diphenyl-butyl)-piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C23H26N2O2
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| Molecular Weight |
362.473
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| Canonical SMILES |
OC(=O)C1CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C23H26N2O2/c24-18-23(20-8-3-1-4-9-20,21-10-5-2-6-11-21)14-7-15-25-16-12-19(13-17-25)22(26)27/h1-6,8-11,19H,7,12-17H2,(H,26,27)
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| InChIKey |
SPPOCCZNANOPDP-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