General Information of the Compound
| Compound ID |
CP0401634
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| Compound Name |
4-(3-Pyridin-3-yl-naphthalen-2-ylmethyl)benzonitrile
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| Structure |
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| Formula |
C23H16N2
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| Molecular Weight |
320.395
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| Canonical SMILES |
N#Cc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1
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| InChI |
InChI=1S/C23H16N2/c24-15-18-9-7-17(8-10-18)12-22-13-19-4-1-2-5-20(19)14-23(22)21-6-3-11-25-16-21/h1-11,13-14,16H,12H2
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| InChIKey |
LVDYKSOHCUGWHR-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial