General Information of the Compound
| Compound ID |
CP0204083
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| Compound Name |
(E)-4-Morpholin-4-yl-but-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 |
C25H23ClFN5O3
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| Molecular Weight |
495.942
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| Canonical SMILES |
COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCOCC1
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| InChI |
InChI=1S/C25H23ClFN5O3/c1-34-23-13-21-18(12-22(23)31-24(33)3-2-6-32-7-9-35-10-8-32)25(16(14-28)15-29-21)30-17-4-5-20(27)19(26)11-17/h2-5,11-13,15H,6-10H2,1H3,(H,29,30)(H,31,33)/b3-2+
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| InChIKey |
RAKHHLWOXRVOCS-NSCUHMNNSA-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