General Information of the Compound
Compound ID
CP0385055
Compound Name
N-[[4-hydroxy-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
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Structure
Formula
C21H32N4O3
Molecular Weight
388.512
Canonical SMILES
COCCCN1CCC(O)(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1
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InChI
InChI=1S/C21H32N4O3/c1-16(2)19-23-18(17-7-4-5-11-25(17)19)20(26)22-15-21(27)8-12-24(13-9-21)10-6-14-28-3/h4-5,7,11,16,27H,6,8-10,12-15H2,1-3H3,(H,22,26)
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InChIKey
AGXATRYRGJTZAT-UHFFFAOYSA-N
Physicochemical Property
logP
2.0509
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
79.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 127041781
ChEMBL ID
CHEMBL3740030
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 = 315.7 nM
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