General Information of the Compound
| Compound ID |
CP0849739
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-trans-2,3-dihydroxy-7-propyl-6a,7,8,12b-tetrahydro-6H-chromeno[3,4-c]isoquinoline hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22ClNO3
|
||||||||||||||||||
| Molecular Weight |
347.842
|
||||||||||||||||||
| Canonical SMILES |
CCCN1Cc2ccccc2C2c3cc(O)c(O)cc3OCC21.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21NO3.ClH/c1-2-7-20-10-12-5-3-4-6-13(12)19-14-8-16(21)17(22)9-18(14)23-11-15(19)20;/h3-6,8-9,15,19,21-22H,2,7,10-11H2,1H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
JJVMZJUGBIGJRB-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: PT00957, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor