General Information of the Compound
| Compound ID |
CP0479824
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| Compound Name |
2-[(3S)-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C22H18F3NO4S
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| Molecular Weight |
449.45
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| Canonical SMILES |
Cc1nc(sc1COc1ccc2[C@H](CC(O)=O)COc2c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H18F3NO4S/c1-12-19(31-21(26-12)13-2-4-15(5-3-13)22(23,24)25)11-29-16-6-7-17-14(8-20(27)28)10-30-18(17)9-16/h2-7,9,14H,8,10-11H2,1H3,(H,27,28)/t14-/m1/s1
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| InChIKey |
YBBZJHLFUPKHJD-CQSZACIVSA-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma