General Information of the Compound
Compound ID
CP0372708
Compound Name
5-Naphthalen-2-yl-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol
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Structure
Formula
C20H16N2O
Molecular Weight
300.361
Canonical SMILES
OC1(N2CCN=C2c2ccccc12)c1ccc2ccccc2c1
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InChI
InChI=1S/C20H16N2O/c23-20(16-10-9-14-5-1-2-6-15(14)13-16)18-8-4-3-7-17(18)19-21-11-12-22(19)20/h1-10,13,23H,11-12H2
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InChIKey
RKCUTIXVCFBEGE-UHFFFAOYSA-N
Physicochemical Property
logP
3.109
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
35.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 11077445
SID: 16146933
ChEMBL ID
CHEMBL132676
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: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001018 HEK-hDAT Homo sapiens (Human)  1
1
Ki = 45 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001017 HEK-hNET Homo sapiens (Human)  1
1
Ki = 11 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001019 HEK-hSERT Homo sapiens (Human)  1
1
Ki = 2.3 nM
   TI
   LI
   LO
   TS