General Information of the Compound
| Compound ID |
CP0425000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methyl-4-[6-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24N4O2
|
||||||||||||||||||
| Molecular Weight |
424.504
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ccc1-c1ncc2CN(CCc3ccc4C(=O)OCc4c3C)CCc2n1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24N4O2/c1-16-11-18(12-27)3-5-21(16)25-28-13-20-14-30(10-8-24(20)29-25)9-7-19-4-6-22-23(17(19)2)15-32-26(22)31/h3-6,11,13H,7-10,14-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZZRITJXNRLBHBO-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