General Information of the Compound
| Compound ID |
CP0204500
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| Compound Name |
4-Methoxy-but-2-ynoic acid [4-(3-bromo-phenylamino)-3-cyano-7-methoxy-quinolin-6-yl]-amide
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| Structure |
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| Formula |
C22H17BrN4O3
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| Molecular Weight |
465.307
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| Canonical SMILES |
COCC#CC(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cc1OC)C#N
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| InChI |
InChI=1S/C22H17BrN4O3/c1-29-8-4-7-21(28)27-19-10-17-18(11-20(19)30-2)25-13-14(12-24)22(17)26-16-6-3-5-15(23)9-16/h3,5-6,9-11,13H,8H2,1-2H3,(H,25,26)(H,27,28)
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| InChIKey |
JWORJWFEXVTKPW-UHFFFAOYSA-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