General Information of the Compound
| Compound ID |
CP0905617
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| Compound Name |
3-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methoxy)phenyl)propanoic-2,2-d2 acid
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| Structure |
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| Formula |
C21H18F3NO3S
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| Molecular Weight |
423.4522036
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| Canonical SMILES |
[2H]C([2H])(Cc1ccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1)C(=O)O
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| InChI |
InChI=1S/C21H18F3NO3S/c1-13-18(12-28-17-9-2-14(3-10-17)4-11-19(26)27)29-20(25-13)15-5-7-16(8-6-15)21(22,23)24/h2-3,5-10H,4,11-12H2,1H3,(H,26,27)/i11D2
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| InChIKey |
MAJOKGVPWQXGOQ-ZWGOZCLVSA-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: PT00909, Peroxisome proliferator-activated receptor delta