General Information of the Compound
| Compound ID |
CP0294225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6,8-dichloro-4-((5-(4-chlorophenethyl)-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 |
C22H18Cl3F3N4O2
|
||||||||||||||||||
| Molecular Weight |
533.765
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)CCn1c(CCc2ccc(Cl)cc2)nnc1CN1C(=O)COc2c(Cl)cc(Cl)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18Cl3F3N4O2/c23-14-4-1-13(2-5-14)3-6-18-29-30-19(31(18)8-7-22(26,27)28)11-32-17-10-15(24)9-16(25)21(17)34-12-20(32)33/h1-2,4-5,9-10H,3,6-8,11-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SQEQQCICFNBUOP-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: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2
Protein ID: PT07147, Sodium/myo-inositol cotransporter 2