General Information of the Compound
Compound ID
CP0246673
Compound Name
4-chloro-N-pyridin-4-ylpyridine-3-carboxamide
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Structure
Formula
C11H8ClN3O
Molecular Weight
233.658
Canonical SMILES
Clc1ccncc1C(=O)Nc1ccncc1
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InChI
InChI=1S/C11H8ClN3O/c12-10-3-6-14-7-9(10)11(16)15-8-1-4-13-5-2-8/h1-7H,(H,13,15,16)
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InChIKey
HJZNGTNPBGQDFO-UHFFFAOYSA-N
Physicochemical Property
logP
2.3823
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: 70691888
ChEMBL ID
CHEMBL2022282
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 = 72500 nM
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