General Information of the Compound
| Compound ID |
CP0091523
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| Compound Name |
(E)-2-(1-(4-Bromobenzylidene)-5-fluoro-1H-inden-3-yl)ethanoicacid
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| Structure |
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| Formula |
C18H12BrFO2
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| Molecular Weight |
359.194
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| Canonical SMILES |
OC(=O)CC1=C\C(=C/c2ccc(Br)cc2)c2ccc(F)cc12
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| InChI |
InChI=1S/C18H12BrFO2/c19-14-3-1-11(2-4-14)7-12-8-13(9-18(21)22)17-10-15(20)5-6-16(12)17/h1-8,10H,9H2,(H,21,22)/b12-7+
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| InChIKey |
ROJRYAFCVBNBDH-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