General Information of the Compound
| Compound ID |
CP0899400
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| Compound Name |
N-(4-((4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)-2-(trifluoromethyl)benzyl)nicotinamide
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| Structure |
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| Formula |
C31H24F3N7O2
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| Molecular Weight |
583.574
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(CNC(=O)c3cccnc3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1
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| InChI |
InChI=1S/C31H24F3N7O2/c1-19-6-9-24(15-27(19)41-30-37-13-10-26(40-30)22-4-2-11-35-16-22)39-29(43)20-7-8-21(25(14-20)31(32,33)34)18-38-28(42)23-5-3-12-36-17-23/h2-17H,18H2,1H3,(H,38,42)(H,39,43)(H,37,40,41)
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| InChIKey |
LVONYFXXFPMDAT-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
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00864, Vascular endothelial growth factor receptor 2