General Information of the Compound
| Compound ID |
CP0167793
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| Compound Name |
(E)-2-(1-(4-tert-Butoxybenzylidene)-5-fluoro-1H-inden-3-yl)ethanoicacid
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| Structure |
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| Formula |
C22H21FO3
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| Molecular Weight |
352.405
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| Canonical SMILES |
CC(C)(C)Oc1ccc(\C=C2/C=C(CC(O)=O)c3cc(F)ccc23)cc1
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| InChI |
InChI=1S/C22H21FO3/c1-22(2,3)26-18-7-4-14(5-8-18)10-15-11-16(12-21(24)25)20-13-17(23)6-9-19(15)20/h4-11,13H,12H2,1-3H3,(H,24,25)/b15-10+
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| InChIKey |
CGFBDMOUJWFUTH-XNTDXEJSSA-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