General Information of the Compound
| Compound ID |
CP0887639
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| Compound Name |
N-(2-(Dimethylamino)ethyl)-N-(4-((4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)benzyl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C33H33N7O2S
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| Molecular Weight |
591.741
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(CN(CCN(C)C)C(=O)c3cccs3)cc2)cc1Nc1nccc(-c2cccnc2)n1
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| InChI |
InChI=1S/C33H33N7O2S/c1-23-8-13-27(20-29(23)38-33-35-16-14-28(37-33)26-6-4-15-34-21-26)36-31(41)25-11-9-24(10-12-25)22-40(18-17-39(2)3)32(42)30-7-5-19-43-30/h4-16,19-21H,17-18,22H2,1-3H3,(H,36,41)(H,35,37,38)
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| InChIKey |
NHYYJHZJKXGEEZ-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