General Information of the Compound
Compound ID
CP0181074
Compound Name
1-cyclohexyl-2-(3-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
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Structure
Formula
C19H24N2O
Molecular Weight
296.414
Canonical SMILES
Cc1ncc2-c3ccccc3C(CC(O)C3CCCCC3)n12
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InChI
InChI=1S/C19H24N2O/c1-13-20-12-18-16-10-6-5-9-15(16)17(21(13)18)11-19(22)14-7-3-2-4-8-14/h5-6,9-10,12,14,17,19,22H,2-4,7-8,11H2,1H3
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InChIKey
NKEKHLVRQVRHMC-UHFFFAOYSA-N
Physicochemical Property
logP
4.09262
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
38.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 127036449
ChEMBL ID
CHEMBL3752239
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
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 10000 nM