General Information of the Compound
Compound ID
CP0459894
Compound Name
2-imidazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
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Structure
Formula
C16H12N6
Molecular Weight
288.314
Canonical SMILES
c1cn(cn1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
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InChI
InChI=1S/C16H12N6/c1-2-5-18-14(3-1)16-13(10-20-21-16)12-4-6-19-15(9-12)22-8-7-17-11-22/h1-11H,(H,20,21)
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InChIKey
RRSMQTBPLPCBAN-UHFFFAOYSA-N
Physicochemical Property
logP
2.7194
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
72.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 56683923
ChEMBL ID
CHEMBL1829505
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: PT01130, Activin receptor type-1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 956 nM
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   LI
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   TS
Protein ID: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 88 nM
   TI
   LI
   LO
   TS