General Information of the Compound
| Compound ID |
CP0168455
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-6-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19ClN2O3
|
||||||||||||||||||
| Molecular Weight |
370.836
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19ClN2O3/c21-16-11-14(12-4-6-13(7-5-12)18(24)25)10-15-17(16)22-19(26)23-20(15)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,24,25)(H2,22,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZOSTZZLCBBHOHV-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: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A