General Information of the Compound
| Compound ID |
CP0443186
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| Compound Name |
3-thiophen-2-yl-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C27H21F3O3S
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| Molecular Weight |
482.523
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| Canonical SMILES |
OC(=O)CC(c1cccs1)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C27H21F3O3S/c28-27(29,30)22-10-6-19(7-11-22)21-4-1-3-18(15-21)17-33-23-12-8-20(9-13-23)24(16-26(31)32)25-5-2-14-34-25/h1-15,24H,16-17H2,(H,31,32)
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| InChIKey |
GVAUTIVDGFOOLD-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