General Information of the Compound
Compound ID
CP0850567
Compound Name
Apomorphine hydrochloride
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Synonyms
(-)-Apomorphinium hydrochloride
(R)-(-)-Apomorphine hydrochloride
314-19-2
6a-beta-Aporphine-10,11-diol, hydrochloride
6abeta-Noraporphine-10,11-diol, 6-methyl-, hyd
9K13MD7A0D
Apomorphin hydrochlorid
Apomorphine HCl
Apomorphine SL
Apomorphine chloride
Apomorphine hydrochloride anhydrous
Apomorphinium chloride
Apomorphinum hydrochloricum
EINECS 206-243-0
N-Methylnorapomorphine hydrochloride
NSC 11442
UNII-9K13MD7A0D
pomorphini hydrochloridum
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Structure
Formula
C17H18ClNO2
Molecular Weight
303.789
Canonical SMILES
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl
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InChI
InChI=1S/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m1./s1
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InChIKey
SKYZYDSNJIOXRL-BTQNPOSSSA-N
CAS
314-19-2
Physicochemical Property
logP
3.2717
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
43.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 9410
SID: 14923079
ChEMBL ID
CHEMBL1616
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: PT01366, D(3) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 69.5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 36.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Apomorphine SL )
Drug Name Apomorphine SL