General Information of the Compound
| Compound ID |
CP0459310
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| Compound Name |
2-[(3S)-6-[[3-[4-(imidazo[1,2-a]pyridin-5-ylmethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C33H30N2O5
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| Molecular Weight |
534.612
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| Canonical SMILES |
Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
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| InChI |
InChI=1S/C33H30N2O5/c1-21-13-28(39-20-26-7-4-8-31-34-11-12-35(26)31)14-22(2)33(21)24-6-3-5-23(15-24)18-38-27-9-10-29-25(16-32(36)37)19-40-30(29)17-27/h3-15,17,25H,16,18-20H2,1-2H3,(H,36,37)/t25-/m1/s1
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| InChIKey |
MBUJCOVRBLAAMC-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