General Information of the Compound
| Compound ID |
CP0459938
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| Compound Name |
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-morpholin-4-ylbenzamide
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| Structure |
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| Formula |
C26H25N5O4S
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| Molecular Weight |
503.584
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| Canonical SMILES |
O=C(Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc(c1)N1CCOCC1
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| InChI |
InChI=1S/C26H25N5O4S/c32-26(20-7-5-9-22(17-20)31-12-14-35-15-13-31)27-25-18-24(28-29-25)19-6-4-8-21(16-19)30-36(33,34)23-10-2-1-3-11-23/h1-11,16-18,30H,12-15H2,(H2,27,28,29,32)
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| InChIKey |
GEYPTNPRIORDBI-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 = 260 nM
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TI
LI
LO
TS
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