General Information of the Compound
Compound ID
CP0849148
Compound Name
1-(3,5-difluorobenzoyl)-9b-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5(9bH)-one
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Structure
Formula
C23H15F3N2O2
Molecular Weight
408.379
Canonical SMILES
O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1
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InChI
InChI=1S/C23H15F3N2O2/c24-16-7-5-15(6-8-16)23-20-4-2-1-3-19(20)22(30)28(23)10-9-27(23)21(29)14-11-17(25)13-18(26)12-14/h1-8,11-13H,9-10H2
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InChIKey
OJXXKNVFVVDYAN-UHFFFAOYSA-N
Physicochemical Property
logP
3.9168
Rotatable Bonds
2
Heavy Atom Count
30
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
30

"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: 71607082
ChEMBL ID
CHEMBL3105219
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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