General Information of the Compound
Compound ID
CP0399566
Compound Name
2-methoxyapomorphine
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Structure
Formula
C18H19NO3
Molecular Weight
297.354
Canonical SMILES
COc1cc2CCN(C)C3Cc4ccc(O)c(O)c4-c(c1)c23
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InChI
InChI=1S/C18H19NO3/c1-19-6-5-11-7-12(22-2)9-13-16(11)14(19)8-10-3-4-15(20)18(21)17(10)13/h3-4,7,9,14,20-21H,5-6,8H2,1-2H3
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InChIKey
QGJWYJSOGNAUCY-UHFFFAOYSA-N
Physicochemical Property
logP
2.8585
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
52.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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).

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PubChem ID
CID: 14659268
ChEMBL ID
CHEMBL2115032
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: PT00957, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 114 nM
   TI
   LI
   LO
   TS
2
Ki = 74 nM
   TI
   LI
   LO
   TS