General Information of the Compound
| Compound ID |
CP0415364
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| Compound Name |
(3S)-3-[4-[[2-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C31H33N3O6S
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| Molecular Weight |
575.687
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2c(C)cc(OCCCS(C)(=O)=O)cc2C)cc1
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| InChI |
InChI=1S/C31H33N3O6S/c1-5-7-25(18-29(35)36)24-9-11-26(12-10-24)40-20-23-8-13-28-32-31(33-34(28)19-23)30-21(2)16-27(17-22(30)3)39-14-6-15-41(4,37)38/h8-13,16-17,19,25H,6,14-15,18,20H2,1-4H3,(H,35,36)/t25-/m0/s1
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| InChIKey |
ZJTPBBJGTXYTGN-VWLOTQADSA-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: PT02522, Free fatty acid receptor 1
Protein ID: PT02793, Free fatty acid receptor 1