General Information of the Compound
| Compound ID |
CP0458196
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| Compound Name |
1-[4-[3-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C26H29N9O
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| Molecular Weight |
483.58
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
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| InChI |
InChI=1S/C26H29N9O/c1-18-27-23(17-25(28-18)35-14-12-34(2)13-15-35)31-24-16-22(32-33-24)19-8-10-21(11-9-19)30-26(36)29-20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H2,29,30,36)(H2,27,28,31,32,33)
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| InChIKey |
ZQVJTXFHNNTZEH-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