General Information of the Compound
| Compound ID |
CP0848870
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(Hydroxymethyl)-apomorphine Hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20ClNO3
|
||||||||||||||||||
| Molecular Weight |
333.815
|
||||||||||||||||||
| Canonical SMILES |
CN1CCc2ccc(CO)c3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19NO3.ClH/c1-19-7-6-10-2-3-12(9-20)16-15(10)13(19)8-11-4-5-14(21)18(22)17(11)16;/h2-5,13,20-22H,6-9H2,1H3;1H/t13-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IRXYRIKDFYHMOS-BTQNPOSSSA-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
Protein ID: PT00943, D(3) dopamine receptor