General Information of the Compound
| Compound ID |
CP0381231
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| Compound Name |
4-(4-methylpiperazin-1-yl)-N-[5-[4-(pyridin-3-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)Nc2cccnc2)cc1
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| InChI |
InChI=1S/C27H28N8O2/c1-34-13-15-35(16-14-34)23-10-6-20(7-11-23)26(36)31-25-17-24(32-33-25)19-4-8-21(9-5-19)29-27(37)30-22-3-2-12-28-18-22/h2-12,17-18H,13-16H2,1H3,(H2,29,30,37)(H2,31,32,33,36)
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| InChIKey |
FDDALZCZBKBAAT-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