General Information of the Compound
| Compound ID |
CP0195827
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| Compound Name |
(E)-N-(4-(azetidin-1-yl)-2-propylquinolin-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 |
CCCc1cc(N2CCC2)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C25H24F3N3O/c1-2-4-19-16-23(31-13-3-14-31)21-15-20(10-11-22(21)29-19)30-24(32)12-7-17-5-8-18(9-6-17)25(26,27)28/h5-12,15-16H,2-4,13-14H2,1H3,(H,30,32)/b12-7+
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| InChIKey |
OUEVVRHUJPXHLA-KPKJPENVSA-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