General Information of the Compound
| Compound ID |
CP0568836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-2-N-[5-(furan-2-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H13ClF3N5O
|
||||||||||||||||||
| Molecular Weight |
431.805
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)-c3ccco3)ncc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H13ClF3N5O/c21-15-11-26-19(28-17-7-6-12(10-25-17)16-5-2-8-30-16)29-18(15)27-14-4-1-3-13(9-14)20(22,23)24/h1-11H,(H2,25,26,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPXVVWBRFQBCJI-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 | |||||||||||||||||||
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