General Information of the Compound
Compound ID
CP0574197
Compound Name
4-(furan-3-yl)-3-phenyl-1H-pyrazolo[4,3-c]pyridine
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Structure
Formula
C16H11N3O
Molecular Weight
261.284
Canonical SMILES
c1cc(co1)-c1nccc2[nH]nc(-c3ccccc3)c12
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InChI
InChI=1S/C16H11N3O/c1-2-4-11(5-3-1)16-14-13(18-19-16)6-8-17-15(14)12-7-9-20-10-12/h1-10H,(H,18,19)
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InChIKey
DRFVQTUGIGMXRH-UHFFFAOYSA-N
Physicochemical Property
logP
3.8849
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
54.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 119025602
ChEMBL ID
CHEMBL3809487
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: PT01348, Dual specificity protein kinase TTK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 810 nM
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