General Information of the Compound
| Compound ID |
CP0399436
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| Compound Name |
3-[4-[[3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methoxy]-2-fluorophenyl]propanoic acid
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| Structure |
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| Formula |
C21H19ClFNO4
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| Molecular Weight |
403.837
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| Canonical SMILES |
Cc1noc(C)c1-c1cc(Cl)cc(COc2ccc(CCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C21H19ClFNO4/c1-12-21(13(2)28-24-12)16-7-14(8-17(22)9-16)11-27-18-5-3-15(19(23)10-18)4-6-20(25)26/h3,5,7-10H,4,6,11H2,1-2H3,(H,25,26)
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| InChIKey |
KXGRGXKWQUHYJG-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