General Information of the Compound
| Compound ID |
CP0002239
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| Compound Name |
2-[4-[5-[5-cyano-1-[(2,4-difluorophenyl)methyl]-6-oxo-4-(trifluoromethyl)pyridin-2-yl]thiophen-2-yl]-3-methylphenyl]acetic acid
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| Structure |
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| Formula |
C27H17F5N2O3S
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| Molecular Weight |
544.501
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| Canonical SMILES |
Cc1cc(CC(O)=O)ccc1-c1ccc(s1)-c1cc(c(C#N)c(=O)n1Cc1ccc(F)cc1F)C(F)(F)F
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| InChI |
InChI=1S/C27H17F5N2O3S/c1-14-8-15(9-25(35)36)2-5-18(14)23-6-7-24(38-23)22-11-20(27(30,31)32)19(12-33)26(37)34(22)13-16-3-4-17(28)10-21(16)29/h2-8,10-11H,9,13H2,1H3,(H,35,36)
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| InChIKey |
WZMZHHPXANSLBG-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