General Information of the Compound
| Compound ID |
CP0059631
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| Compound Name |
(E)-N-(4-amino-2-neopentylquinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)acrylamide
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| Structure |
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| Formula |
C24H24F3N3O
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| Molecular Weight |
427.47
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| Canonical SMILES |
CC(C)(C)Cc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C24H24F3N3O/c1-23(2,3)14-18-13-20(28)19-12-17(9-10-21(19)29-18)30-22(31)11-6-15-4-7-16(8-5-15)24(25,26)27/h4-13H,14H2,1-3H3,(H2,28,29)(H,30,31)/b11-6+
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| InChIKey |
VMAKKIUPVLGJGU-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