General Information of the Compound
| Compound ID |
CP0513672
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| Compound Name |
3-methoxy-5-(2-methyl-1,6-naphthyridin-7-yl)benzonitrile
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| Structure |
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| Formula |
C17H13N3O
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| Molecular Weight |
275.311
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| Canonical SMILES |
COc1cc(cc(c1)-c1cc2nc(C)ccc2cn1)C#N
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| InChI |
InChI=1S/C17H13N3O/c1-11-3-4-13-10-19-16(8-17(13)20-11)14-5-12(9-18)6-15(7-14)21-2/h3-8,10H,1-2H3
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| InChIKey |
KGYNLMMURLBRSQ-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