General Information of the Compound
| Compound ID |
CP0007438
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(2-methoxypyridin-3-yl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N7O
|
||||||||||||||||||
| Molecular Weight |
399.458
|
||||||||||||||||||
| Canonical SMILES |
COc1ncccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N7O/c1-30-21-18(9-6-12-26-21)19-13-20(28-22(23)27-19)29(14-16-7-2-4-10-24-16)15-17-8-3-5-11-25-17/h2-13H,14-15H2,1H3,(H2,23,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FHIFCTGHOCBSEB-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