General Information of the Compound
| Compound ID |
CP0567871
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-[(2-chlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16ClN5
|
||||||||||||||||||
| Molecular Weight |
325.803
|
||||||||||||||||||
| Canonical SMILES |
CNc1nc(NCc2ccccc2Cl)cc(n1)-c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16ClN5/c1-19-17-22-15(14-8-4-5-9-20-14)10-16(23-17)21-11-12-6-2-3-7-13(12)18/h2-10H,11H2,1H3,(H2,19,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QICGQVSBLJCONR-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