General Information of the Compound
| Compound ID |
CP0439908
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| Compound Name |
2-[(3S)-6-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C29H32O6
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| Molecular Weight |
476.569
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| Canonical SMILES |
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
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| InChI |
InChI=1S/C29H32O6/c1-4-32-10-11-33-25-12-19(2)29(20(3)13-25)22-7-5-6-21(14-22)17-34-24-8-9-26-23(15-28(30)31)18-35-27(26)16-24/h5-9,12-14,16,23H,4,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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| InChIKey |
GWJDMRAKYPGSSI-HSZRJFAPSA-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: PT02793, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1