General Information of the Compound
| Compound ID |
CP0193004
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| Compound Name |
(E)-2-(5-Fluoro-1-(naphthalen-2-ylmethylene)-1H-inden-3-yl)-ethanoic acid
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| Structure |
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| Formula |
C22H15FO2
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| Molecular Weight |
330.358
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| Canonical SMILES |
OC(=O)CC1=C\C(=C/c2ccc3ccccc3c2)c2ccc(F)cc12
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| InChI |
InChI=1S/C22H15FO2/c23-19-7-8-20-17(11-18(12-22(24)25)21(20)13-19)10-14-5-6-15-3-1-2-4-16(15)9-14/h1-11,13H,12H2,(H,24,25)/b17-10+
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| InChIKey |
BLDZBZMGSVOARQ-LICLKQGHSA-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