General Information of the Compound
| Compound ID |
CP0329855
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| Compound Name |
(E)-N-[4-(3-Chloro-4-fluorophenylamino)-3-cyano-7-ethoxyquinolin-6-yl]-3-[1-(2-fluoroethyl)-1H-[1,2,3]triazol-4-yl]-acrylamide
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| Structure |
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| Formula |
C25H20ClF2N7O2
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| Molecular Weight |
523.931
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| Canonical SMILES |
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\c1cn(CCF)nn1
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| InChI |
InChI=1S/C25H20ClF2N7O2/c1-2-37-23-11-21-18(10-22(23)32-24(36)6-4-17-14-35(8-7-27)34-33-17)25(15(12-29)13-30-21)31-16-3-5-20(28)19(26)9-16/h3-6,9-11,13-14H,2,7-8H2,1H3,(H,30,31)(H,32,36)/b6-4+
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| InChIKey |
ZSMLGVFRQDVJPG-GQCTYLIASA-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