General Information of the Compound
| Compound ID |
CP0381229
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| Compound Name |
4-(4-methylpiperazin-1-yl)-N-[5-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]benzamide
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| Structure |
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| Formula |
C28H29N7O2
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| Molecular Weight |
495.587
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2ccccc2)cc1
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| InChI |
InChI=1S/C28H29N7O2/c1-34-15-17-35(18-16-34)24-13-9-21(10-14-24)27(36)31-26-19-25(32-33-26)20-7-11-23(12-8-20)30-28(37)29-22-5-3-2-4-6-22/h2-14,19H,15-18H2,1H3,(H2,29,30,37)(H2,31,32,33,36)
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| InChIKey |
YGMCKHXDPSZHKE-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: 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 = 6 nM
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TI
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LO
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