General Information of the Compound
| Compound ID |
CP0851275
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| Compound Name |
{4-[2-(3,4-Dichloro-phenyl)-5-methyl-2H-[1,2,3]triazol-4-ylmethylsulfanyl]-2-methyl-phenoxy}-acetic acid
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| Structure |
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| Formula |
C19H17Cl2N3O3S
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| Molecular Weight |
438.336
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| Canonical SMILES |
Cc1cc(SCc2nn(-c3ccc(Cl)c(Cl)c3)nc2C)ccc1OCC(=O)O
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| InChI |
InChI=1S/C19H17Cl2N3O3S/c1-11-7-14(4-6-18(11)27-9-19(25)26)28-10-17-12(2)22-24(23-17)13-3-5-15(20)16(21)8-13/h3-8H,9-10H2,1-2H3,(H,25,26)
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| InChIKey |
YMPUXSVHRWZADH-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