General Information of the Compound
| Compound ID |
CP0465081
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6,8-dichloro-4-((5-(5-chloropyridin-2-yl)-4-(3,3,3-trifluoropropyl)-4H-1,2,4-triazol-3-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H13Cl3F3N5O2
|
||||||||||||||||||
| Molecular Weight |
506.699
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)CCn1c(CN2C(=O)COc3c(Cl)cc(Cl)cc23)nnc1-c1ccc(Cl)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H13Cl3F3N5O2/c20-10-1-2-13(26-7-10)18-28-27-15(29(18)4-3-19(23,24)25)8-30-14-6-11(21)5-12(22)17(14)32-9-16(30)31/h1-2,5-7H,3-4,8-9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGJTZRUKRISFCY-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