General Information of the Compound
| Compound ID |
CP0415012
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| Compound Name |
1-(4-chlorophenyl)-3-[4-[2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea
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| Structure |
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| Formula |
C27H29ClN8OS
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| Molecular Weight |
549.104
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(C)n1
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| InChI |
InChI=1S/C27H29ClN8OS/c1-3-35-12-14-36(15-13-35)25-16-24(30-18(2)31-25)34-27-29-17-23(38-27)19-4-8-21(9-5-19)32-26(37)33-22-10-6-20(28)7-11-22/h4-11,16-17H,3,12-15H2,1-2H3,(H2,32,33,37)(H,29,30,31,34)
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| InChIKey |
GYQLUHTWPIEBEW-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