General Information of the Compound
| Compound ID |
CP0549501
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| Compound Name |
N-[(4-chlorophenyl)methyl]-1-ethyl-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide
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| Structure |
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| Formula |
C20H16ClF3N2O2
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| Molecular Weight |
408.807
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| Canonical SMILES |
CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C20H16ClF3N2O2/c1-2-26-11-16(19(28)25-10-12-3-6-14(21)7-4-12)18(27)15-8-5-13(9-17(15)26)20(22,23)24/h3-9,11H,2,10H2,1H3,(H,25,28)
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| InChIKey |
CLCAOWVXXGBURD-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