General Information of the Compound
| Compound ID |
CP0413190
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Biphenyl-4-yl-4-cyclohexyl-5-methyl-4H-1,2,4-triazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N3
|
||||||||||||||||||
| Molecular Weight |
317.436
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N3/c1-16-22-23-21(24(16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,20H,3,6-7,10-11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NENSJWMCUTWPHW-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