General Information of the Compound
| Compound ID |
CP0435157
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16N4
|
||||||||||||||||||
| Molecular Weight |
288.354
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccc2c(cccc12)-c1nnc(-c2ccccc2)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N4/c1-21-12-11-14-15(9-6-10-16(14)21)18-20-19-17(22(18)2)13-7-4-3-5-8-13/h3-12H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBROXCRYEHIFSF-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