General Information of the Compound
| Compound ID |
CP0433602
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| Compound Name |
2-[(3S)-6-[[3-[4-[(4-hydroxy-1,1-dioxothian-4-yl)methoxy]-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C31H34O8S
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| Molecular Weight |
566.672
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| Canonical SMILES |
Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
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| InChI |
InChI=1S/C31H34O8S/c1-20-12-26(39-19-31(34)8-10-40(35,36)11-9-31)13-21(2)30(20)23-5-3-4-22(14-23)17-37-25-6-7-27-24(15-29(32)33)18-38-28(27)16-25/h3-7,12-14,16,24,34H,8-11,15,17-19H2,1-2H3,(H,32,33)/t24-/m1/s1
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| InChIKey |
SANKBBBKIREHFJ-XMMPIXPASA-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