General Information of the Compound
| Compound ID |
CP0442494
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| Compound Name |
2-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide
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| Structure |
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| Formula |
C25H20ClN3O4S
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| Molecular Weight |
493.972
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| Canonical SMILES |
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3)c2cc1OC
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| InChI |
InChI=1S/C25H20ClN3O4S/c1-31-22-13-18-20(14-23(22)32-2)27-12-11-21(18)33-16-9-7-15(8-10-16)28-25(34)29-24(30)17-5-3-4-6-19(17)26/h3-14H,1-2H3,(H2,28,29,30,34)
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| InChIKey |
JAXRQZOMEYHMHJ-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
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01092, Platelet-derived growth factor receptor alpha