General Information of the Compound
| Compound ID |
CP0434702
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| Compound Name |
2-methyl-N-(2-methylphenyl)-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C25H23F3N2O2
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| Molecular Weight |
440.465
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| Canonical SMILES |
CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccccc1C
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| InChI |
InChI=1S/C25H23F3N2O2/c1-14-6-3-4-7-18(14)30-24(32)21-15(2)29-19-8-5-9-20(31)23(19)22(21)16-10-12-17(13-11-16)25(26,27)28/h3-4,6-7,10-13,22,29H,5,8-9H2,1-2H3,(H,30,32)
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| InChIKey |
CBVNLIFSAHNJQG-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