General Information of the Compound
| Compound ID |
CP0432435
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| Compound Name |
N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
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| Structure |
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| Formula |
C24H29N7O2
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| Molecular Weight |
447.543
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
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| InChI |
InChI=1S/C24H29N7O2/c1-3-25-24(33)26-19-8-4-17(5-9-19)21-16-22(29-28-21)27-23(32)18-6-10-20(11-7-18)31-14-12-30(2)13-15-31/h4-11,16H,3,12-15H2,1-2H3,(H2,25,26,33)(H2,27,28,29,32)
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| InChIKey |
ZTCBHJYWVCQSHJ-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