General Information of the Compound
Compound ID
CP0444545
Compound Name
N-(1-ethylpiperidin-4-yl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
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Formula
C21H24N4O
Molecular Weight
348.45
Canonical SMILES
CCN1CCC(CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1
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InChI
InChI=1S/C21H24N4O/c1-2-24-12-10-18(11-13-24)22-21(26)17-8-9-20-23-19(15-25(20)14-17)16-6-4-3-5-7-16/h3-9,14-15,18H,2,10-13H2,1H3,(H,22,26)
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InChIKey
YFDYHOGYIJFQGE-UHFFFAOYSA-N
Physicochemical Property
logP
3.2154
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
49.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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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ChEMBL ID
CHEMBL4868975
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: PT06758, Hematopoietic prostaglandin D synthase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 4300 nM
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