General Information of the Compound
| Compound ID |
CP0440546
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-chloro-3-methoxynaphthalen-2-yl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15ClF3N3O
|
||||||||||||||||||
| Molecular Weight |
417.818
|
||||||||||||||||||
| Canonical SMILES |
COc1c(cc2ccccc2c1Cl)-c1nnc(-c2ccccc2C(F)(F)F)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15ClF3N3O/c1-28-19(14-9-5-6-10-16(14)21(23,24)25)26-27-20(28)15-11-12-7-3-4-8-13(12)17(22)18(15)29-2/h3-11H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDADMRSCTRKLQN-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1