General Information of the Compound
| Compound ID |
CP0090815
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-N-(2-methoxyethyl)quinazoline-4,7-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N6O3
|
||||||||||||||||||
| Molecular Weight |
448.527
|
||||||||||||||||||
| Canonical SMILES |
COCCNc1ccc2c(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)ncnc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N6O3/c1-31-9-8-25-17-6-7-21-22(12-17)26-15-27-24(21)28-23-13-18(29-30-23)5-4-16-10-19(32-2)14-20(11-16)33-3/h6-7,10-15,25H,4-5,8-9H2,1-3H3,(H2,26,27,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GLMJUNWCJAUOLS-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