General Information of the Compound
| Compound ID |
CP0420785
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
17,19-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaen-18-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21NO5
|
||||||||||||||||||
| Molecular Weight |
355.39
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CN3CCc4cc5OCOc5cc4C3Cc2c(OC)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21NO5/c1-23-18-6-12-9-21-4-3-11-5-16-17(26-10-25-16)8-13(11)15(21)7-14(12)20(24-2)19(18)22/h5-6,8,15,22H,3-4,7,9-10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
APWVCSUULJAZPB-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor