General Information of the Compound
| Compound ID |
CP0397329
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| Compound Name |
4-(4-methylpiperazin-1-yl)-N-[5-[4-(pyridin-2-ylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]benzamide
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| Structure |
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| Formula |
C27H28N8O2
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| Molecular Weight |
496.575
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2ccccn2)cc1
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| InChI |
InChI=1S/C27H28N8O2/c1-34-14-16-35(17-15-34)22-11-7-20(8-12-22)26(36)30-25-18-23(32-33-25)19-5-9-21(10-6-19)29-27(37)31-24-4-2-3-13-28-24/h2-13,18H,14-17H2,1H3,(H2,28,29,31,37)(H2,30,32,33,36)
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| InChIKey |
SDKZHBFUPPRZJU-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