General Information of the Compound
| Compound ID |
CP0207234
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| Compound Name |
(E)-4-Dimethylamino-but-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-7-trifluoromethoxy-quinolin-6-yl]-amide
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| Structure |
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| Formula |
C23H18ClF4N5O2
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| Molecular Weight |
507.875
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| Canonical SMILES |
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OC(F)(F)F)C#N
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| InChI |
InChI=1S/C23H18ClF4N5O2/c1-33(2)7-3-4-21(34)32-19-9-15-18(10-20(19)35-23(26,27)28)30-12-13(11-29)22(15)31-14-5-6-17(25)16(24)8-14/h3-6,8-10,12H,7H2,1-2H3,(H,30,31)(H,32,34)/b4-3+
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| InChIKey |
TVFXIBINWPOVQP-ONEGZZNKSA-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