General Information of the Compound
| Compound ID |
CP0091522
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| Compound Name |
(E)-2-(5-Fluoro-1-(4-(trifluoromethylthio)benzylidene)-1H-inden-3-yl)ethanoic acid
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| Structure |
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| Formula |
C19H12F4O2S
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| Molecular Weight |
380.362
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| Canonical SMILES |
OC(=O)CC1=C\C(=C/c2ccc(SC(F)(F)F)cc2)c2ccc(F)cc12
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| InChI |
InChI=1S/C19H12F4O2S/c20-14-3-6-16-12(8-13(9-18(24)25)17(16)10-14)7-11-1-4-15(5-2-11)26-19(21,22)23/h1-8,10H,9H2,(H,24,25)/b12-7+
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| InChIKey |
NPPDMRLSURBHGR-KPKJPENVSA-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