General Information of the Compound
Compound ID
CP0510931
Compound Name
1-(4-propan-2-yloxybenzoyl)-9b-(4-propan-2-yloxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
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Structure
Formula
C29H30N2O4
Molecular Weight
470.569
Canonical SMILES
CC(C)Oc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(OC(C)C)cc1
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InChI
InChI=1S/C29H30N2O4/c1-19(2)34-23-13-9-21(10-14-23)27(32)30-17-18-31-28(33)25-7-5-6-8-26(25)29(30,31)22-11-15-24(16-12-22)35-20(3)4/h5-16,19-20H,17-18H2,1-4H3
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InChIKey
APRLKAYTRVMDNV-UHFFFAOYSA-N
Physicochemical Property
logP
5.0739
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
59.08
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 118719494
ChEMBL ID
CHEMBL3353282
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 = 1900 nM
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