General Information of the Compound
| Compound ID |
CP0382324
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| Compound Name |
N-[4-[2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]benzamide
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| Structure |
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| Formula |
C27H29N7OS
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| Molecular Weight |
499.644
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)c3ccccc3)cc2)nc(C)n1
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| InChI |
InChI=1S/C27H29N7OS/c1-3-33-13-15-34(16-14-33)25-17-24(29-19(2)30-25)32-27-28-18-23(36-27)20-9-11-22(12-10-20)31-26(35)21-7-5-4-6-8-21/h4-12,17-18H,3,13-16H2,1-2H3,(H,31,35)(H,28,29,30,32)
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| InChIKey |
BLHRYSFUVASEBI-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