General Information of the Compound
| Compound ID |
CP0381558
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| Compound Name |
1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea
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| Structure |
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| Formula |
C25H29N9O2S
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| Molecular Weight |
519.635
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| Canonical SMILES |
CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1
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| InChI |
InChI=1S/C25H29N9O2S/c1-4-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16(2)27-21)34-11-9-33(3)10-12-34/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,27,28,31)(H2,29,30,32,35)
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| InChIKey |
ZJXBNNBYIKZSJP-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