General Information of the Compound
Compound ID
CP0884640
Compound Name
9b-(4-fluorophenyl)-1-(4-methylbenzoyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5(9bH)-one
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Structure
Formula
C24H19FN2O2
Molecular Weight
386.426
Canonical SMILES
Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(F)cc2)cc1
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InChI
InChI=1S/C24H19FN2O2/c1-16-6-8-17(9-7-16)22(28)26-14-15-27-23(29)20-4-2-3-5-21(20)24(26,27)18-10-12-19(25)13-11-18/h2-13H,14-15H2,1H3
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InChIKey
VZLXXLPUGXRTCA-UHFFFAOYSA-N
Physicochemical Property
logP
3.94702
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 71607062
ChEMBL ID
CHEMBL3105218
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: PT01516, Muscarinic acetylcholine receptor M5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
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