General Information of the Compound
| Compound ID |
CP0193005
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| Compound Name |
(E)-2-(5-Fluoro-1-(4-methoxybenzylidene)-1H-inden-3-yl)ethanoicacid
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| Structure |
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| Formula |
C19H15FO3
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| Molecular Weight |
310.324
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| Canonical SMILES |
COc1ccc(\C=C2/C=C(CC(O)=O)c3cc(F)ccc23)cc1
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| InChI |
InChI=1S/C19H15FO3/c1-23-16-5-2-12(3-6-16)8-13-9-14(10-19(21)22)18-11-15(20)4-7-17(13)18/h2-9,11H,10H2,1H3,(H,21,22)/b13-8+
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| InChIKey |
GKMAPNIKFMYEQG-MDWZMJQESA-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