General Information of the Compound
| Compound ID |
CP0420967
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| Compound Name |
2-[(3S)-6-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C32H35NO6
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| Molecular Weight |
529.633
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| Canonical SMILES |
Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
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| InChI |
InChI=1S/C32H35NO6/c1-21-14-27(37-13-5-12-33-11-4-8-30(33)34)15-22(2)32(21)24-7-3-6-23(16-24)19-38-26-9-10-28-25(17-31(35)36)20-39-29(28)18-26/h3,6-7,9-10,14-16,18,25H,4-5,8,11-13,17,19-20H2,1-2H3,(H,35,36)/t25-/m1/s1
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| InChIKey |
BBWSUMXKRYUIHW-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