General Information of the Compound
| Compound ID |
CP0899399
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| Compound Name |
4-((2-(Dimethylamino)-N-(2-hydroxyethyl)acetamido)methyl)-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide
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| Structure |
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| Formula |
C30H33N7O3
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| Molecular Weight |
539.64
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(CN(CCO)C(=O)CN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1
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| InChI |
InChI=1S/C30H33N7O3/c1-21-6-11-25(17-27(21)35-30-32-14-12-26(34-30)24-5-4-13-31-18-24)33-29(40)23-9-7-22(8-10-23)19-37(15-16-38)28(39)20-36(2)3/h4-14,17-18,38H,15-16,19-20H2,1-3H3,(H,33,40)(H,32,34,35)
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| InChIKey |
UOFSMMDBDUJORQ-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