General Information of the Compound
| Compound ID |
CP0001327
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| Compound Name |
methyl 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole-3-carboxylate
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| Structure |
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| Formula |
C22H17ClN2O4S2
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| Molecular Weight |
472.975
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| Canonical SMILES |
COC(=O)c1cc(-c2ccc(s2)-c2cccc(c2)S(C)(=O)=O)n(n1)-c1ccccc1Cl
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| InChI |
InChI=1S/C22H17ClN2O4S2/c1-29-22(26)17-13-19(25(24-17)18-9-4-3-8-16(18)23)21-11-10-20(30-21)14-6-5-7-15(12-14)31(2,27)28/h3-13H,1-2H3
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| InChIKey |
ZXTOKWKHXXGVMT-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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta