General Information of the Compound
| Compound ID |
CP0854595
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| Compound Name |
3-Acrylamido-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H21F3N6O2
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| Molecular Weight |
518.499
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| Canonical SMILES |
C=CC(=O)Nc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C27H21F3N6O2/c1-3-24(37)33-21-12-18(11-19(13-21)27(28,29)30)25(38)34-20-7-6-16(2)23(14-20)36-26-32-10-8-22(35-26)17-5-4-9-31-15-17/h3-15H,1H2,2H3,(H,33,37)(H,34,38)(H,32,35,36)
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| InChIKey |
KOIQFXWBVHUBDI-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000077 | Ba/F3 | Mus musculus (Mouse) | 1 |
| 1 |
GI50 = 5460 nM
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TI
LI
LO
TS
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