General Information of the Compound
| Compound ID |
CP0000254
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| Compound Name |
(Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid
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| Structure |
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| Formula |
C20H17FO2S
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| Molecular Weight |
340.419
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| Canonical SMILES |
CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
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| InChI |
InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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| InChIKey |
LFWHFZJPXXOYNR-MFOYZWKCSA-N
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| CAS |
49627-27-2
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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: PT01002, Cytochrome P450 1A2
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT01171, Prostaglandin D2 receptor 2
Protein ID: PT00901, Prostaglandin G/H synthase 2