General Information of the Compound
Compound ID
CP0324895
Compound Name
5H-imidazo[5,1-a]isoindol-9-ol
    Show/Hide
Structure
Formula
C10H8N2O
Molecular Weight
172.187
Canonical SMILES
Oc1cccc2Cn3cncc3-c12
    Show/Hide
InChI
InChI=1S/C10H8N2O/c13-9-3-1-2-7-5-12-6-11-4-8(12)10(7)9/h1-4,6,13H,5H2
    Show/Hide
InChIKey
FQJHIXJNTJLXIQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.6174
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
38.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
13

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 68348080
ChEMBL ID
CHEMBL4585404
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
EC50 = 7900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3100 nM