General Information of the Compound
Compound ID
CP0504116
Compound Name
(+/-)-trans-1-Propyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-6-ol
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Structure
Formula
C16H23NO
Molecular Weight
245.366
Canonical SMILES
CCCN1CCC[C@@H]2Cc3c(O)cccc3C[C@@H]12
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InChI
InChI=1S/C16H23NO/c1-2-8-17-9-4-6-13-10-14-12(11-15(13)17)5-3-7-16(14)18/h3,5,7,13,15,18H,2,4,6,8-11H2,1H3/t13-,15-/m1/s1
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InChIKey
GNIVTAIHBFVOJN-UKRRQHHQSA-N
Physicochemical Property
logP
2.9814
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 13851595
ChEMBL ID
CHEMBL455497
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2780 nM
   TI
   LI
   LO
   TS
Protein ID: PT01366, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 395 nM
   TI
   LI
   LO
   TS