General Information of the Compound
| Compound ID |
CP0209467
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| Compound Name |
(E)-4-Morpholin-4-yl-but-2-enoic acid [4-(3-bromo-phenylamino)-3-cyano-8-methoxy-quinolin-6-yl]-amide
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| Structure |
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| Formula |
C25H24BrN5O3
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| Molecular Weight |
522.403
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| Canonical SMILES |
COc1cc(NC(=O)\C=C\CN2CCOCC2)cc2c(Nc3cccc(Br)c3)c(cnc12)C#N
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| InChI |
InChI=1S/C25H24BrN5O3/c1-33-22-14-20(29-23(32)6-3-7-31-8-10-34-11-9-31)13-21-24(17(15-27)16-28-25(21)22)30-19-5-2-4-18(26)12-19/h2-6,12-14,16H,7-11H2,1H3,(H,28,30)(H,29,32)/b6-3+
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| InChIKey |
QROTXBMVKQDLPG-ZZXKWVIFSA-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