General Information of the Compound
| Compound ID |
CP0954941
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-Methoxy-5-methyl-benzyl)-2-pyridin-2-yl-pyrimidine-4,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19N5O
|
||||||||||||||||||
| Molecular Weight |
321.384
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C)cc1Cc1c(N)nc(-c2ccccn2)nc1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19N5O/c1-11-6-7-15(24-2)12(9-11)10-13-16(19)22-18(23-17(13)20)14-5-3-4-8-21-14/h3-9H,10H2,1-2H3,(H4,19,20,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQOYOBSWKIRGSM-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