General Information of the Compound
Compound ID
CP0406999
Compound Name
N-[3-(2-hydroxy-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
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Structure
Formula
C20H28N4O2
Molecular Weight
356.47
Canonical SMILES
CC(C)c1nc(C(=O)NC2C3CN(CC(C)(C)O)CC23)c2ccccn12
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InChI
InChI=1S/C20H28N4O2/c1-12(2)18-21-17(15-7-5-6-8-24(15)18)19(25)22-16-13-9-23(10-14(13)16)11-20(3,4)26/h5-8,12-14,16,26H,9-11H2,1-4H3,(H,22,25)
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InChIKey
QNBXHPFENPMNBZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.8886
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
69.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 127037816
ChEMBL ID
CHEMBL3740752
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 > 10000 nM
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