General Information of the Compound
Compound ID
CP0390185
Compound Name
(6S)-N,N-dipropyl-5,6,7,8-tetrahydro-1,1'-binaphthyl-6-amine
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Structure
Formula
C26H31N
Molecular Weight
357.541
Canonical SMILES
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1cccc2ccccc12
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InChI
InChI=1S/C26H31N/c1-3-17-27(18-4-2)22-15-16-24-21(19-22)11-8-14-26(24)25-13-7-10-20-9-5-6-12-23(20)25/h5-14,22H,3-4,15-19H2,1-2H3/t22-/m0/s1
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InChIKey
ZDLOUKWUMDONOK-QFIPXVFZSA-N
Physicochemical Property
logP
6.4861
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
27

"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: 46233450
ChEMBL ID
CHEMBL596959
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: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 0.3 nM
   TI
   LI
   LO
   TS