General Information of the Compound
| Compound ID |
CP0135396
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(7-chloranyl-[1,2,4]triazolo[3,4-c][1,2,4]benzotriazin-1-yl)sulfanyl]-N,N-diethyl-ethanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H15ClN6OS
|
||||||||||||||||||
| Molecular Weight |
350.835
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)CSc1nnc2nnc3cc(Cl)ccc3n12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H15ClN6OS/c1-3-20(4-2)12(22)8-23-14-19-18-13-17-16-10-7-9(15)5-6-11(10)21(13)14/h5-7H,3-4,8H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RBGLIJKWOGTUGZ-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3