General Information of the Compound
| Compound ID |
CP0899596
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N2,N4-diphenyl-N6-(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17ClN6
|
||||||||||||||||||
| Molecular Weight |
352.829
|
||||||||||||||||||
| Canonical SMILES |
C#CCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N6.ClH/c1-2-13-19-16-22-17(20-14-9-5-3-6-10-14)24-18(23-16)21-15-11-7-4-8-12-15;/h1,3-12H,13H2,(H3,19,20,21,22,23,24);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
XGTMNQGMVNSXIR-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