General Information of the Compound
| Compound ID |
CP0572824
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| Compound Name |
2-[4-[[3-(1,3-benzothiazol-2-yl)phenoxy]methyl]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C22H16FNO4S
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| Molecular Weight |
409.438
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| Canonical SMILES |
OC(=O)COc1ccc(COc2cccc(c2)-c2nc3ccccc3s2)cc1F
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| InChI |
InChI=1S/C22H16FNO4S/c23-17-10-14(8-9-19(17)28-13-21(25)26)12-27-16-5-3-4-15(11-16)22-24-18-6-1-2-7-20(18)29-22/h1-11H,12-13H2,(H,25,26)
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| InChIKey |
ZWDWLYXUHHCRID-UHFFFAOYSA-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