General Information of the Compound
| Compound ID |
CP0083525
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| Compound Name |
2-(6-(2-((4-(trifluoromethyl)phenoxy)methyl)benzyloxy)-5-methylbenzo[b]thiophen-3-yl)acetic acid
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| Structure |
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| Formula |
C26H21F3O4S
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| Molecular Weight |
486.511
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| Canonical SMILES |
Cc1cc2c(CC(O)=O)csc2cc1OCc1ccccc1COc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H21F3O4S/c1-16-10-22-19(11-25(30)31)15-34-24(22)12-23(16)33-14-18-5-3-2-4-17(18)13-32-21-8-6-20(7-9-21)26(27,28)29/h2-10,12,15H,11,13-14H2,1H3,(H,30,31)
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| InChIKey |
YDNAXUMKGRAZTP-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