General Information of the Compound
| Compound ID |
CP0036076
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| Compound Name |
2-(4-Chloro-6-(5-methoxy-2-methylbiphenyl-4-ylamino)pyrimidin-2-ylthio)octanoic acid
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| Structure |
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| Formula |
C26H30ClN3O3S
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| Molecular Weight |
500.064
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| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2cc(C)c(cc2OC)-c2ccccc2)n1)C(O)=O
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| InChI |
InChI=1S/C26H30ClN3O3S/c1-4-5-6-10-13-22(25(31)32)34-26-29-23(27)16-24(30-26)28-20-14-17(2)19(15-21(20)33-3)18-11-8-7-9-12-18/h7-9,11-12,14-16,22H,4-6,10,13H2,1-3H3,(H,31,32)(H,28,29,30)
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| InChIKey |
ORCISIWKCUVQKL-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