General Information of the Compound
| Compound ID |
CP0425463
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| Compound Name |
4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide
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| Structure |
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| Formula |
C24H30N6O3S
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| Molecular Weight |
482.61
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| Canonical SMILES |
CCCS(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
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| InChI |
InChI=1S/C24H30N6O3S/c1-3-15-34(32,33)28-20-6-4-5-19(16-20)22-17-23(27-26-22)25-24(31)18-7-9-21(10-8-18)30-13-11-29(2)12-14-30/h4-10,16-17,28H,3,11-15H2,1-2H3,(H2,25,26,27,31)
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| InChIKey |
PNQKUBCEFGAMEO-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000071 | MOLM-13 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 56 nM
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TI
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LO
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