General Information of the Compound
| Compound ID |
CP0569334
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| Compound Name |
2-[4-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenoxy]methyl]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C22H15ClFNO5
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| Molecular Weight |
427.815
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| Canonical SMILES |
OC(=O)COc1ccc(COc2cccc(c2)-c2nc3cc(Cl)ccc3o2)cc1F
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| InChI |
InChI=1S/C22H15ClFNO5/c23-15-5-7-20-18(10-15)25-22(30-20)14-2-1-3-16(9-14)28-11-13-4-6-19(17(24)8-13)29-12-21(26)27/h1-10H,11-12H2,(H,26,27)
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| InChIKey |
GTTGPBZQHVWCOV-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