General Information of the Compound
| Compound ID |
CP0465196
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-chloro-4-((5-(4-chlorophenethyl)-4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
457.361
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CCc2nnc(CN3C(=O)COc4ccc(Cl)cc34)n2CC2CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22Cl2N4O2/c24-17-6-3-15(4-7-17)5-10-21-26-27-22(29(21)12-16-1-2-16)13-28-19-11-18(25)8-9-20(19)31-14-23(28)30/h3-4,6-9,11,16H,1-2,5,10,12-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZYLDYWPHJNGJP-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