General Information of the Compound
| Compound ID |
CP0906653
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| Compound Name |
4-(Acrylamidomethyl)-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H23F3N6O2
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| Molecular Weight |
532.526
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| Canonical SMILES |
C=CC(=O)NCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F
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| InChI |
InChI=1S/C28H23F3N6O2/c1-3-25(38)34-16-19-8-7-18(13-22(19)28(29,30)31)26(39)35-21-9-6-17(2)24(14-21)37-27-33-12-10-23(36-27)20-5-4-11-32-15-20/h3-15H,1,16H2,2H3,(H,34,38)(H,35,39)(H,33,36,37)
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| InChIKey |
WZPFHFCWBXTXAE-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