General Information of the Compound
| Compound ID |
CP0292499
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[4-[4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
7-(4-(4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1h)-one
7-[4-[4-(2,3-Dichlorophenyl)hexahydro-1H-1,4-diazepine-1-yl]butoxy]-3,4-dihydro-1,8-naphthyridine-2(1H)-one
BDBM50395569
CHEMBL2165119
GTPL7650
JQSRFMXTGAVHIR-UHFFFAOYSA-N
SCHEMBL252358
UNC9975
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
463.409
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQSRFMXTGAVHIR-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: PT01005, D(2) dopamine receptor
Cell-based Assay
Clinical Information about the Compound