General Information of the Compound
| Compound ID |
CP0137440
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| Compound Name |
(E)-2-(5-Fluoro-1-(quinoxalin-6-ylmethylene)-1H-inden-3-yl)-ethanoic acid
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| Structure |
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| Formula |
C20H13FN2O2
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| Molecular Weight |
332.334
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| Canonical SMILES |
OC(=O)CC1=C\C(=C/c2ccc3nccnc3c2)c2ccc(F)cc12
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| InChI |
InChI=1S/C20H13FN2O2/c21-15-2-3-16-13(9-14(10-20(24)25)17(16)11-15)7-12-1-4-18-19(8-12)23-6-5-22-18/h1-9,11H,10H2,(H,24,25)/b13-7+
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| InChIKey |
KKLVWUGQXKYUGT-NTUHNPAUSA-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