General Information of the Compound
| Compound ID |
CP0903687
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| Compound Name |
2-(4-((5-methyl-2-(4-(trifluoromethyl)phenyl)-2H-1,2,3-triazol-4-yl)methoxy)phenyl)acetic acid
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| Structure |
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| Formula |
C19H16F3N3O3
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| Molecular Weight |
391.349
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| Canonical SMILES |
Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc(CC(=O)O)cc1
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| InChI |
InChI=1S/C19H16F3N3O3/c1-12-17(11-28-16-8-2-13(3-9-16)10-18(26)27)24-25(23-12)15-6-4-14(5-7-15)19(20,21)22/h2-9H,10-11H2,1H3,(H,26,27)
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| InChIKey |
CLRCRZFINRTJGY-UHFFFAOYSA-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: PT01919, Peroxisome proliferator-activated receptor alpha
Protein ID: PT03063, Peroxisome proliferator-activated receptor delta