General Information of the Compound
| Compound ID |
CP0374536
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8''-chloro-5''-(3-dimethylamino-2-hydroxypropoxy)spiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-2''-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H26ClN3O3
|
||||||||||||||||||
| Molecular Weight |
367.877
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CC(O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H26ClN3O3/c1-22(2)10-12(23)11-25-14-7-6-13(19)16-15(14)18(21-17(24)20-16)8-4-3-5-9-18/h6-7,12,23H,3-5,8-11H2,1-2H3,(H2,20,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMXUDDPDPZDQBK-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
Protein ID: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A