General Information of the Compound
| Compound ID |
CP0562409
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| Compound Name |
2-[4-[[4-(2-fluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C26H21F4N3O5
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| Molecular Weight |
531.462
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| Canonical SMILES |
CC(C)(Oc1ccc(OCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2F)cc1)C(O)=O
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| InChI |
InChI=1S/C26H21F4N3O5/c1-25(2,23(34)35)38-19-13-11-18(12-14-19)37-15-22-31-33(17-9-7-16(8-10-17)26(28,29)30)24(36)32(22)21-6-4-3-5-20(21)27/h3-14H,15H2,1-2H3,(H,34,35)
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| InChIKey |
IMRGJIBRAJGWKV-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