General Information of the Compound
| Compound ID |
CP0047745
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| Compound Name |
N-[5-[4-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(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)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NS(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C27H28N6O3S/c1-32-15-17-33(18-16-32)23-13-9-21(10-14-23)27(34)28-26-19-25(29-30-26)20-7-11-22(12-8-20)31-37(35,36)24-5-3-2-4-6-24/h2-14,19,31H,15-18H2,1H3,(H2,28,29,30,34)
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| InChIKey |
TWLIQGHEQROHMD-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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000071 | MOLM-13 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 50 nM
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TI
LI
LO
TS
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