General Information of the Compound
| Compound ID |
CP0860664
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| Compound Name |
N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-(vinylsulfonamidomethyl)benzamide
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| Structure |
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| Formula |
C26H24N6O3S
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| Molecular Weight |
500.584
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| Canonical SMILES |
C=CS(=O)(=O)NCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1
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| InChI |
InChI=1S/C26H24N6O3S/c1-3-36(34,35)29-16-19-7-9-20(10-8-19)25(33)30-22-11-6-18(2)24(15-22)32-26-28-14-12-23(31-26)21-5-4-13-27-17-21/h3-15,17,29H,1,16H2,2H3,(H,30,33)(H,28,31,32)
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| InChIKey |
IQIXHSHAHFVTQP-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