General Information of the Compound
| Compound ID |
CP0239125
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| Compound Name |
(E)-4-Dimethylamino-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 |
C23H22BrN5O2
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| Molecular Weight |
480.366
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| Canonical SMILES |
COc1cc(NC(=O)\C=C\CN(C)C)cc2c(Nc3cccc(Br)c3)c(cnc12)C#N
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| InChI |
InChI=1S/C23H22BrN5O2/c1-29(2)9-5-8-21(30)27-18-11-19-22(28-17-7-4-6-16(24)10-17)15(13-25)14-26-23(19)20(12-18)31-3/h4-8,10-12,14H,9H2,1-3H3,(H,26,28)(H,27,30)/b8-5+
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| InChIKey |
MPNMKIMGGUGYMJ-VMPITWQZSA-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