General Information of the Compound
| Compound ID |
CP0161875
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| Compound Name |
(E)-N-(4-amino-2-cyclohexylquinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)acrylamide
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| Structure |
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| Formula |
C25H24F3N3O
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| Molecular Weight |
439.481
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| Canonical SMILES |
Nc1cc(nc2ccc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)cc12)C1CCCCC1
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| InChI |
InChI=1S/C25H24F3N3O/c26-25(27,28)18-9-6-16(7-10-18)8-13-24(32)30-19-11-12-22-20(14-19)21(29)15-23(31-22)17-4-2-1-3-5-17/h6-15,17H,1-5H2,(H2,29,31)(H,30,32)/b13-8+
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| InChIKey |
HUBNHNXKNZPWEP-MDWZMJQESA-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