General Information of the Compound
| Compound ID |
CP0871232
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N2-(4-fluorophenyl)-N4-(2-methoxyethyl)-N6-phenyl-1,3,5-triazine-2,4,6-triamine N2-isopropyl-N4,N6-bis(3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20ClFN6O
|
||||||||||||||||||
| Molecular Weight |
390.85
|
||||||||||||||||||
| Canonical SMILES |
COCCNc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19FN6O.ClH/c1-26-12-11-20-16-23-17(21-14-5-3-2-4-6-14)25-18(24-16)22-15-9-7-13(19)8-10-15;/h2-10H,11-12H2,1H3,(H3,20,21,22,23,24,25);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
KNEVXEJAQJSAES-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