General Information of the Compound
| Compound ID |
CP0281231
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)-3-fluorophenyl)pyrazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19ClFN5
|
||||||||||||||||||
| Molecular Weight |
419.891
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1F)-c1cnccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19ClFN5/c1-30-21(18-8-3-15(13-19(18)25)20-14-26-11-12-27-20)28-29-22(30)23(9-2-10-23)16-4-6-17(24)7-5-16/h3-8,11-14H,2,9-10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLKKSSJPSJWGPI-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