General Information of the Compound
| Compound ID |
CP0392113
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| Compound Name |
5-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-diphenyl-pentanenitrile
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| Structure |
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| Formula |
C28H27ClN2
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| Molecular Weight |
426.991
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| Canonical SMILES |
Clc1ccc(cc1)C1=CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C28H27ClN2/c29-27-14-12-23(13-15-27)24-16-20-31(21-17-24)19-7-18-28(22-30,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-16H,7,17-21H2
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| InChIKey |
SBTDSQSUVHMWSP-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