General Information of the Compound
| Compound ID |
CP0494373
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-isoquinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N5O3
|
||||||||||||||||||
| Molecular Weight |
403.442
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Nc2nccc(Nc3cc4ccccc4cn3)n2)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N5O3/c1-28-17-11-16(12-18(29-2)21(17)30-3)25-22-23-9-8-19(27-22)26-20-10-14-6-4-5-7-15(14)13-24-20/h4-13H,1-3H3,(H2,23,24,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWYKWONCBMPHGJ-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