General Information of the Compound
| Compound ID |
CP0474369
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37N7O
|
||||||||||||||||||
| Molecular Weight |
487.652
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CN2CCc3nc(nc(N4CCN(CCN(C)C)CC4)c3C2)-c2ccccn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37N7O/c1-32(2)14-15-33-16-18-35(19-17-33)28-24-21-34(20-22-7-9-23(36-3)10-8-22)13-11-25(24)30-27(31-28)26-6-4-5-12-29-26/h4-10,12H,11,13-21H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BJUDUIKISWYCRJ-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