General Information of the Compound
| Compound ID |
CP0158929
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| Compound Name |
(E)-2-(5-Fluoro-1-(quinolin-8-ylmethylene)-1H-inden-3-yl)ethanoicacid
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| Structure |
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| Formula |
C21H14FNO2
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| Molecular Weight |
331.346
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| Canonical SMILES |
OC(=O)CC1=C\C(=C/c2cccc3cccnc23)c2ccc(F)cc12
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| InChI |
InChI=1S/C21H14FNO2/c22-17-6-7-18-15(10-16(11-20(24)25)19(18)12-17)9-14-4-1-3-13-5-2-8-23-21(13)14/h1-10,12H,11H2,(H,24,25)/b15-9+
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| InChIKey |
ANXRVYJLEQFMNW-OQLLNIDSSA-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