General Information of the Compound
| Compound ID |
CP0449319
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| Compound Name |
3-(2-methylquinolin-7-yl)-5-(trifluoromethoxy)benzonitrile
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| Structure |
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| Formula |
C18H11F3N2O
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| Molecular Weight |
328.293
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| Canonical SMILES |
Cc1ccc2ccc(cc2n1)-c1cc(OC(F)(F)F)cc(c1)C#N
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| InChI |
InChI=1S/C18H11F3N2O/c1-11-2-3-13-4-5-14(9-17(13)23-11)15-6-12(10-22)7-16(8-15)24-18(19,20)21/h2-9H,1H3
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| InChIKey |
SYLGTTMGEZBVJK-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