General Information of the Compound
Compound ID
CP0526732
Compound Name
N-[[3-(oxan-4-ylmethyl)-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
C23H32N4O2
Molecular Weight
396.535
Canonical SMILES
CC(C)c1cn2cccc(C(=O)NCC3C4CN(CC5CCOCC5)CC34)c2n1
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InChI
InChI=1S/C23H32N4O2/c1-15(2)21-14-27-7-3-4-17(22(27)25-21)23(28)24-10-18-19-12-26(13-20(18)19)11-16-5-8-29-9-6-16/h3-4,7,14-16,18-20H,5-6,8-13H2,1-2H3,(H,24,28)
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InChIKey
ATJLMQWUQXSGDV-UHFFFAOYSA-N
Physicochemical Property
logP
2.7919
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
58.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 145975740
ChEMBL ID
CHEMBL4208144
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 = 114 nM
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