General Information of the Compound
| Compound ID |
CP0425465
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| Compound Name |
N-[5-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
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| Structure |
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| Formula |
C27H27ClN6O3S
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| Molecular Weight |
551.072
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C27H27ClN6O3S/c1-33-13-15-34(16-14-33)23-9-5-19(6-10-23)27(35)29-26-18-25(30-31-26)20-3-2-4-22(17-20)32-38(36,37)24-11-7-21(28)8-12-24/h2-12,17-18,32H,13-16H2,1H3,(H2,29,30,31,35)
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| InChIKey |
KYVGWYPQEYQEBJ-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 = 74 nM
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