General Information of the Compound
| Compound ID |
CP0436969
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| Compound Name |
6-(4-Methylpyridin-3-yl)-2-naphthonitrile
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| Synonyms |
6-(4-Methylpyridin-3-yl)-2-naphthonitrile
BDBM50272247
CHEMBL500665
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| Structure |
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| Formula |
C17H12N2
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| Molecular Weight |
244.297
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| Canonical SMILES |
Cc1ccncc1-c1ccc2cc(ccc2c1)C#N
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| InChI |
InChI=1S/C17H12N2/c1-12-6-7-19-11-17(12)16-5-4-14-8-13(10-18)2-3-15(14)9-16/h2-9,11H,1H3
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| InChIKey |
BVEDDOVOLJETRX-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
Clinical Information about the Compound