General Information of the Compound
| Compound ID |
CP0409664
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| Compound Name |
N-[5-[4-(cyclopropylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
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| Structure |
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| Formula |
C25H29N7O2
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| Molecular Weight |
459.554
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)NC2CC2)cc1
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| InChI |
InChI=1S/C25H29N7O2/c1-31-12-14-32(15-13-31)21-10-4-18(5-11-21)24(33)28-23-16-22(29-30-23)17-2-6-19(7-3-17)26-25(34)27-20-8-9-20/h2-7,10-11,16,20H,8-9,12-15H2,1H3,(H2,26,27,34)(H2,28,29,30,33)
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| InChIKey |
XOEGJJMMZVWIBH-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