General Information of the Compound
| Compound ID |
CP0876507
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| Compound Name |
[(3S)-6-({2',6'-Dimethyl-4'-[(1-methylpiperidin-4-yl)oxy]-biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic Acid Hydrochloride
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| Structure |
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| Formula |
C31H36ClNO5
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| Molecular Weight |
538.084
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| Canonical SMILES |
Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1.Cl
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| InChI |
InChI=1S/C31H35NO5.ClH/c1-20-13-27(37-25-9-11-32(3)12-10-25)14-21(2)31(20)23-6-4-5-22(15-23)18-35-26-7-8-28-24(16-30(33)34)19-36-29(28)17-26;/h4-8,13-15,17,24-25H,9-12,16,18-19H2,1-3H3,(H,33,34);1H/t24-;/m1./s1
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| InChIKey |
QDXYBKHMFZABMQ-GJFSDDNBSA-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