General Information of the Compound
| Compound ID |
CP0906649
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| Compound Name |
N-(2-(Diethylamino)ethyl)-N-(4-((4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)benzyl)nicotinamide
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| Structure |
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| Formula |
C36H38N8O2
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| Molecular Weight |
614.754
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| Canonical SMILES |
CCN(CC)CCN(Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1)C(=O)c1cccnc1
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| InChI |
InChI=1S/C36H38N8O2/c1-4-43(5-2)20-21-44(35(46)30-9-7-18-38-24-30)25-27-11-13-28(14-12-27)34(45)40-31-15-10-26(3)33(22-31)42-36-39-19-16-32(41-36)29-8-6-17-37-23-29/h6-19,22-24H,4-5,20-21,25H2,1-3H3,(H,40,45)(H,39,41,42)
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| InChIKey |
XFOIGTNDDFNZOL-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