General Information of the Compound
Compound ID
CP0556357
Compound Name
6-pyridin-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
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Structure
Formula
C15H10N6OS
Molecular Weight
322.353
Canonical SMILES
O=C(Nc1nncs1)c1cn2cc(ccc2n1)-c1ccccn1
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InChI
InChI=1S/C15H10N6OS/c22-14(19-15-20-17-9-23-15)12-8-21-7-10(4-5-13(21)18-12)11-3-1-2-6-16-11/h1-9H,(H,19,20,22)
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InChIKey
HGVCJDAPFAKUPF-UHFFFAOYSA-N
Physicochemical Property
logP
2.5001
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
85.07
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
23

"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: 44125338
SID: 84977117
ChEMBL ID
CHEMBL4454933
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: PT06794, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000020 Neuro-2a Mus musculus (Mouse)  1
1
EC50 = 67.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT05155, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 1000 nM
   TI
   LI
   LO
   TS