General Information of the Compound
| Compound ID |
CP0290535
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| Compound Name |
(E)-N-(4-amino-2-cyclobutylquinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)acrylamide
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| Structure |
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| Formula |
C23H20F3N3O
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| Molecular Weight |
411.427
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| Canonical SMILES |
Nc1cc(nc2ccc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)cc12)C1CCC1
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| InChI |
InChI=1S/C23H20F3N3O/c24-23(25,26)16-7-4-14(5-8-16)6-11-22(30)28-17-9-10-20-18(12-17)19(27)13-21(29-20)15-2-1-3-15/h4-13,15H,1-3H2,(H2,27,29)(H,28,30)/b11-6+
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| InChIKey |
DZBRSGDTRPYNOH-IZZDOVSWSA-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