General Information of the Compound
| Compound ID |
CP0637836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(3-methyl-6,7-dihydro-3H-imidazo[4,5-c]pyridin-5(4H)-yl)phenoxy)propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N4O2
|
||||||||||||||||||
| Molecular Weight |
418.541
|
||||||||||||||||||
| Canonical SMILES |
Cn1cnc2c1CN(c1cccc(OCC(O)CN3CCc4ccccc4C3)c1)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N4O2/c1-27-18-26-24-10-12-29(16-25(24)27)21-7-4-8-23(13-21)31-17-22(30)15-28-11-9-19-5-2-3-6-20(19)14-28/h2-8,13,18,22,30H,9-12,14-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPTFHUZGDICBQV-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