General Information of the Compound
| Compound ID |
CP0864423
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N'-bis(4-fluorophenyl)-N''-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16F2N8
|
||||||||||||||||||
| Molecular Weight |
406.4
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Nc2nc(NCc3ncccn3)nc(Nc3ccc(F)cc3)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16F2N8/c21-13-2-6-15(7-3-13)26-19-28-18(25-12-17-23-10-1-11-24-17)29-20(30-19)27-16-8-4-14(22)5-9-16/h1-11H,12H2,(H3,25,26,27,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UAAKDZMQDFXQTN-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