General Information of the Compound
| Compound ID |
CP0433890
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| Compound Name |
2-[(3S)-6-[[3-[2,6-diethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C31H36O7S
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| Molecular Weight |
552.689
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| Canonical SMILES |
CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
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| InChI |
InChI=1S/C31H36O7S/c1-4-22-15-27(36-12-7-13-39(3,34)35)16-23(5-2)31(22)24-9-6-8-21(14-24)19-37-26-10-11-28-25(17-30(32)33)20-38-29(28)18-26/h6,8-11,14-16,18,25H,4-5,7,12-13,17,19-20H2,1-3H3,(H,32,33)/t25-/m1/s1
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| InChIKey |
XVTKVGIZQCELOW-RUZDIDTESA-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