General Information of the Compound
Compound ID
CP0791662
Compound Name
6-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol
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Structure
Formula
C17H27NO
Molecular Weight
261.409
Canonical SMILES
CCCN(CCC)[C@@H]1Cc2cccc(O)c2C[C@H]1C
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InChI
InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-14-7-6-8-17(19)15(14)11-13(16)3/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m1/s1
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InChIKey
RGZPLWVASVRKAR-CZUORRHYSA-N
Physicochemical Property
logP
3.6175
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 13805900
ChEMBL ID
CHEMBL15136
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 14 nM
   TI
   LI
   LO
   TS
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 = 220 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.54 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 = 4.73 nM
   TI
   LI
   LO
   TS