General Information of the Compound
Compound ID
CP0429689
Compound Name
N-[8-(2-hydroxy-2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
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Structure
Formula
C22H32N4O2
Molecular Weight
384.524
Canonical SMILES
CC(C)c1nc(C(=O)NC2CC3CCC(C2)N3CC(C)(C)O)c2ccccn12
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InChI
InChI=1S/C22H32N4O2/c1-14(2)20-24-19(18-7-5-6-10-25(18)20)21(27)23-15-11-16-8-9-17(12-15)26(16)13-22(3,4)28/h5-7,10,14-17,28H,8-9,11-13H2,1-4H3,(H,23,27)
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InChIKey
USDAVNQTTJCEIV-UHFFFAOYSA-N
Physicochemical Property
logP
2.9538
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
69.87
Hydrogen Bond Donor Count
2
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: 127042089
ChEMBL ID
CHEMBL3739826
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 = 39 nM
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