General Information of the Compound
| Compound ID |
CP0888517
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| Compound Name |
{3-Propyl-4-[5-methyl-2-(4-trifluoromethyl-phenyl)-2H-[1,2,3]triazol-4-ylmethoxy]-phenyl}-acetic acid
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| Structure |
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| Formula |
C22H22F3N3O3
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| Molecular Weight |
433.43
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| Canonical SMILES |
CCCc1cc(CC(=O)O)ccc1OCc1nn(-c2ccc(C(F)(F)F)cc2)nc1C
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| InChI |
InChI=1S/C22H22F3N3O3/c1-3-4-16-11-15(12-21(29)30)5-10-20(16)31-13-19-14(2)26-28(27-19)18-8-6-17(7-9-18)22(23,24)25/h5-11H,3-4,12-13H2,1-2H3,(H,29,30)
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| InChIKey |
RSQIWZHMPCJWRQ-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