General Information of the Compound
Compound ID
CP0080483
Compound Name
5-bromo-N-pyridin-4-ylpyridine-3-carboxamide
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Structure
Formula
C11H8BrN3O
Molecular Weight
278.109
Canonical SMILES
Brc1cncc(c1)C(=O)Nc1ccncc1
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InChI
InChI=1S/C11H8BrN3O/c12-9-5-8(6-14-7-9)11(16)15-10-1-3-13-4-2-10/h1-7H,(H,13,15,16)
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InChIKey
XLRRWKQMUTVURI-UHFFFAOYSA-N
Physicochemical Property
logP
2.4914
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 2227730
ChEMBL ID
CHEMBL1566648
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: PT01184, Rho-associated protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 270000 nM
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