General Information of the Compound
Compound ID
CP0542700
Compound Name
N-[[3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
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Structure
Formula
C22H30N4O2
Molecular Weight
382.508
Canonical SMILES
CC(C)c1cn2cccc(C(=O)NCC3C4CN(CC34)C3CCOCC3)c2n1
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InChI
InChI=1S/C22H30N4O2/c1-14(2)20-13-25-7-3-4-16(21(25)24-20)22(27)23-10-17-18-11-26(12-19(17)18)15-5-8-28-9-6-15/h3-4,7,13-15,17-19H,5-6,8-12H2,1-2H3,(H,23,27)
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InChIKey
MFSOMEXJBQJRFZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.5443
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
58.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 145972323
ChEMBL ID
CHEMBL4215651
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: PT01307, 5-hydroxytryptamine receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 36 nM
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