General Information of the Compound
| Compound ID |
CP0472628
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| Compound Name |
2-[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid
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| Structure |
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| Formula |
C17H13ClN2O4
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| Molecular Weight |
344.754
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| Canonical SMILES |
OC(=O)Cc1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C17H13ClN2O4/c18-13-3-1-2-12(9-13)17-19-15(24-20-17)10-23-14-6-4-11(5-7-14)8-16(21)22/h1-7,9H,8,10H2,(H,21,22)
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| InChIKey |
RQJMSDATLPVGLV-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