General Information of the Compound
| Compound ID |
CP0551569
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-benzamidophenyl)-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C29H19F3N4O3
|
||||||||||||||||||
| Molecular Weight |
528.49
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(NC(=O)c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H19F3N4O3/c30-29(31,32)23-10-6-19(7-11-23)26-17-36(35-34-26)25-15-21(14-22(16-25)28(38)39)18-8-12-24(13-9-18)33-27(37)20-4-2-1-3-5-20/h1-17H,(H,33,37)(H,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LCGHNGYFEPHTHN-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound