General Information of the Compound
| Compound ID |
CP0948271
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| Compound Name |
N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-3-(propionamidomethyl)benzamide
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| Structure |
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| Formula |
C27H26N6O2
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| Molecular Weight |
466.545
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| Canonical SMILES |
CCC(=O)NCc1cccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1
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| InChI |
InChI=1S/C27H26N6O2/c1-3-25(34)30-16-19-6-4-7-20(14-19)26(35)31-22-10-9-18(2)24(15-22)33-27-29-13-11-23(32-27)21-8-5-12-28-17-21/h4-15,17H,3,16H2,1-2H3,(H,30,34)(H,31,35)(H,29,32,33)
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| InChIKey |
FACVVWLIIOLCIB-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 = 4750 nM
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TI
LI
LO
TS
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