General Information of the Compound
| Compound ID |
CP0498427
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| Compound Name |
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
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| Structure |
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| Formula |
C27H28N6O3S
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| Molecular Weight |
516.627
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| Canonical SMILES |
CN1CCN(CC1)c1cccc(c1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C27H28N6O3S/c1-32-13-15-33(16-14-32)23-10-6-8-21(18-23)27(34)28-26-19-25(29-30-26)20-7-5-9-22(17-20)31-37(35,36)24-11-3-2-4-12-24/h2-12,17-19,31H,13-16H2,1H3,(H2,28,29,30,34)
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| InChIKey |
YEWDZQBQOJUCOS-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: PT00980, Aurora kinase A
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2