General Information of the Compound
| Compound ID |
CP0955464
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| Compound Name |
N-(2-(Dimethylamino)ethyl)-4-methyl-N-(4-((4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)benzyl)benzamide
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| Structure |
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| Formula |
C36H37N7O2
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| Molecular Weight |
599.739
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| Canonical SMILES |
Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)cc1
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| InChI |
InChI=1S/C36H37N7O2/c1-25-7-12-29(13-8-25)35(45)43(21-20-42(3)4)24-27-10-14-28(15-11-27)34(44)39-31-16-9-26(2)33(22-31)41-36-38-19-17-32(40-36)30-6-5-18-37-23-30/h5-19,22-23H,20-21,24H2,1-4H3,(H,39,44)(H,38,40,41)
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| InChIKey |
JWIKMSNYYPKSJN-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