General Information of the Compound
Compound ID
CP0487472
Compound Name
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
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Formula
C24H22Cl2N6O
Molecular Weight
481.387
Canonical SMILES
NC1CCN(CC1)c1c(NC(=O)c2cn3ccccc3n2)cncc1-c1cc(Cl)cc(Cl)c1
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InChI
InChI=1S/C24H22Cl2N6O/c25-16-9-15(10-17(26)11-16)19-12-28-13-20(23(19)31-7-4-18(27)5-8-31)30-24(33)21-14-32-6-2-1-3-22(32)29-21/h1-3,6,9-14,18H,4-5,7-8,27H2,(H,30,33)
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InChIKey
KEIGDQLHVNXHKG-UHFFFAOYSA-N
Physicochemical Property
logP
4.8829
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
88.55
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
33

"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
CHEMBL4862717
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1900 nM
   TI
   LI
   LO
   TS
Protein ID: PT01505, Somatostatin receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.14 nM
   TI
   LI
   LO
   TS