General Information of the Compound
Compound ID
CP0547728
Compound Name
5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole
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Structure
Formula
C16H17FN2
Molecular Weight
256.324
Canonical SMILES
Fc1cccc2-c3cncn3C(C3CCCCC3)c12
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InChI
InChI=1S/C16H17FN2/c17-13-8-4-7-12-14-9-18-10-19(14)16(15(12)13)11-5-2-1-3-6-11/h4,7-11,16H,1-3,5-6H2
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InChIKey
QATDUWMUWYMNES-UHFFFAOYSA-N
Physicochemical Property
logP
4.1723
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
17.82
Hydrogen Bond Donor Count
0
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: 134462563
ChEMBL ID
CHEMBL4586507
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
IC50 = 568 nM
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