General Information of the Compound
Compound ID
CP0464020
Compound Name
10-(2-Methylallyl)-11-hydroxy-N-propylnoraporphine
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Structure
Formula
C23H27NO
Molecular Weight
333.475
Canonical SMILES
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(CC(C)=C)c(O)c-31
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InChI
InChI=1S/C23H27NO/c1-4-11-24-12-10-16-6-5-7-19-21(16)20(24)14-17-8-9-18(13-15(2)3)23(25)22(17)19/h5-9,20,25H,2,4,10-14H2,1,3H3/t20-/m1/s1
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InChIKey
UTKIHSDWABXFSV-HXUWFJFHSA-N
Physicochemical Property
logP
5.0431
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 46180328
SID: 96033353
ChEMBL ID
CHEMBL596866
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS