General Information of the Compound
| Compound ID |
CP0238503
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| Compound Name |
(E)-4-Diethylamino-pent-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-7-methoxy-quinolin-6-yl]-amide
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| Structure |
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| Formula |
C26H27ClFN5O2
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| Molecular Weight |
495.986
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| Canonical SMILES |
CCN(CC)C(C)\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OC)C#N
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| InChI |
InChI=1S/C26H27ClFN5O2/c1-5-33(6-2)16(3)7-10-25(34)32-23-12-19-22(13-24(23)35-4)30-15-17(14-29)26(19)31-18-8-9-21(28)20(27)11-18/h7-13,15-16H,5-6H2,1-4H3,(H,30,31)(H,32,34)/b10-7+
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| InChIKey |
OYSSIBSGJAMGFJ-JXMROGBWSA-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