General Information of the Compound
| Compound ID |
CP0875470
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| Compound Name |
N-(4-((4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)benzyl)-N-(2-(pyrrolidin-1-yl)ethyl)nicotinamide
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| Structure |
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| Formula |
C36H36N8O2
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| Molecular Weight |
612.738
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(CN(CCN3CCCC3)C(=O)c3cccnc3)cc2)cc1Nc1nccc(-c2cccnc2)n1
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| InChI |
InChI=1S/C36H36N8O2/c1-26-8-13-31(22-33(26)42-36-39-17-14-32(41-36)29-6-4-15-37-23-29)40-34(45)28-11-9-27(10-12-28)25-44(21-20-43-18-2-3-19-43)35(46)30-7-5-16-38-24-30/h4-17,22-24H,2-3,18-21,25H2,1H3,(H,40,45)(H,39,41,42)
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| InChIKey |
WJGIEXQRQHDINU-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 > 10000 nM
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TI
LI
LO
TS
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