General Information of the Compound
| Compound ID |
CP0004667
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-aminoethyl)-4-[(1,3-dimethylpyrazolo[4,3-e][1,2,4]triazin-5-yl)amino]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H18N8O2S
|
||||||||||||||||||
| Molecular Weight |
362.419
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H18N8O2S/c1-9-12-13(22(2)21-9)19-20-14(18-12)17-10-3-5-11(6-4-10)25(23,24)16-8-7-15/h3-6,16H,7-8,15H2,1-2H3,(H,17,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRNRDDIKLSHPOP-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