General Information of the Compound
| Compound ID |
CP0553260
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| Compound Name |
5-(2-methylquinolin-7-yl)isophthalonitrile
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| Synonyms |
5-(2-methylquinolin-7-yl)isophthalonitrile
CHEMBL231788
SCHEMBL4304888
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| Structure |
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| Formula |
C18H11N3
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| Molecular Weight |
269.307
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| Canonical SMILES |
Cc1ccc2ccc(cc2n1)-c1cc(cc(c1)C#N)C#N
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| InChI |
InChI=1S/C18H11N3/c1-12-2-3-15-4-5-16(9-18(15)21-12)17-7-13(10-19)6-14(8-17)11-20/h2-9H,1H3
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| InChIKey |
KVBFHKKSOXHZCJ-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
Clinical Information about the Compound