General Information of the Compound
| Compound ID |
CP0543673
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| Compound Name |
4-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoic acid
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| Structure |
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| Formula |
C20H16N2O4
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| Molecular Weight |
348.358
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| Canonical SMILES |
Cc1cc(ccc1-c1noc(n1)-c1cc2c(C)ccc(C)c2o1)C(O)=O
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| InChI |
InChI=1S/C20H16N2O4/c1-10-4-5-11(2)17-15(10)9-16(25-17)19-21-18(22-26-19)14-7-6-13(20(23)24)8-12(14)3/h4-9H,1-3H3,(H,23,24)
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| InChIKey |
MUBBIFQEGNXPNA-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
Protein ID: PT01621, Retinoic acid receptor alpha
Protein ID: PT02120, Retinoic acid receptor beta
Protein ID: PT02121, Retinoic acid receptor gamma