General Information of the Compound
| Compound ID |
CP0497460
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| Compound Name |
2,2-diphenyl-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanenitrile
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| Structure |
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| Formula |
C27H26N2
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| Molecular Weight |
378.519
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| Canonical SMILES |
N#CC(CCN1CCC(=CC1)c1ccccc1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H26N2/c28-22-27(25-12-6-2-7-13-25,26-14-8-3-9-15-26)18-21-29-19-16-24(17-20-29)23-10-4-1-5-11-23/h1-16H,17-21H2
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| InChIKey |
IFQNYCVYXFNQND-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