General Information of the Compound
| Compound ID |
CP0014710
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(cyclohexen-1-yl)-8-[5-(difluoromethyl)pyridin-3-yl]-[1,2,4]triazolo[4,3-a]quinoxaline
Show/Hide
|
||||||||||||||||||
| Formula |
C21H17F2N5
|
||||||||||||||||||
| Molecular Weight |
377.398
|
||||||||||||||||||
| Canonical SMILES |
FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCC4)n3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17F2N5/c22-20(23)16-8-15(10-24-11-16)14-6-7-17-18(9-14)28-19(12-25-17)26-27-21(28)13-4-2-1-3-5-13/h4,6-12,20H,1-3,5H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQCFRUUPBAMHIY-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 | |||||||||||||||||||
| 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: PT07381, Alpha-1-antitrypsin-related protein
Protein ID: PT00955, DNA-dependent protein kinase catalytic subunit
Protein ID: PT01902, Serine-protein kinase ATM