General Information of the Compound
| Compound ID |
CP0378804
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| Compound Name |
3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]-2,6-difluorophenyl}propanoic Acid
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| Structure |
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| Formula |
C24H22F2O3
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| Molecular Weight |
396.433
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| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(COc2cc(F)c(CCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C24H22F2O3/c1-15-5-3-6-16(2)24(15)18-8-4-7-17(11-18)14-29-19-12-21(25)20(22(26)13-19)9-10-23(27)28/h3-8,11-13H,9-10,14H2,1-2H3,(H,27,28)
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| InChIKey |
XTGHVWCBHGYSBY-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