General Information of the Compound
| Compound ID |
CP0266725
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| Compound Name |
2-(4-(3,5-bis(2,2,2-trifluoroethoxy)phenylamino)-6-chloropyrimidin-2-ylthio)octanoic acid
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| Structure |
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| Formula |
C22H24ClF6N3O4S
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| Molecular Weight |
575.959
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| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)n1)C(O)=O
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| InChI |
InChI=1S/C22H24ClF6N3O4S/c1-2-3-4-5-6-16(19(33)34)37-20-31-17(23)10-18(32-20)30-13-7-14(35-11-21(24,25)26)9-15(8-13)36-12-22(27,28)29/h7-10,16H,2-6,11-12H2,1H3,(H,33,34)(H,30,31,32)
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| InChIKey |
LWHZXDYTGUIQFY-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: PT01242, Polyunsaturated fatty acid 5-lipoxygenase
Protein ID: PT02025, Prostaglandin E synthase