General Information of the Compound
| Compound ID |
CP0900080
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-Methoxy-benzyl)-2-pyridin-2-yl-pyrimidine-4,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17N5O
|
||||||||||||||||||
| Molecular Weight |
307.357
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cc2c(N)nc(-c3ccccn3)nc2N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17N5O/c1-23-12-7-5-11(6-8-12)10-13-15(18)21-17(22-16(13)19)14-4-2-3-9-20-14/h2-9H,10H2,1H3,(H4,18,19,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPQRSSNRWBYLCH-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