General Information of the Compound
| Compound ID |
CP0461217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(7-chloro-1-methoxynaphthalen-2-yl)-4-methyl-5-(2-methylsulfonylphenyl)-1,2,4-triazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
427.913
|
||||||||||||||||||
| Canonical SMILES |
COc1c(ccc2ccc(Cl)cc12)-c1nnc(-c2ccccc2S(C)(=O)=O)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18ClN3O3S/c1-25-20(15-6-4-5-7-18(15)29(3,26)27)23-24-21(25)16-11-9-13-8-10-14(22)12-17(13)19(16)28-2/h4-12H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XPWYDHMUYFJZEX-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1