General Information of the Compound
| Compound ID |
CP0376258
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| Compound Name |
1-(3-chlorophenyl)-3-[4-[2-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]phenyl]urea
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| Structure |
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| Formula |
C25H25ClN8OS
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| Molecular Weight |
521.05
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| Canonical SMILES |
Cc1nc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(n1)N1CCNCC1
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| InChI |
InChI=1S/C25H25ClN8OS/c1-16-29-22(14-23(30-16)34-11-9-27-10-12-34)33-25-28-15-21(36-25)17-5-7-19(8-6-17)31-24(35)32-20-4-2-3-18(26)13-20/h2-8,13-15,27H,9-12H2,1H3,(H2,31,32,35)(H,28,29,30,33)
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| InChIKey |
SSDXFFVYCHJSHO-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