General Information of the Compound
Compound ID
CP0168607
Compound Name
1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
    Show/Hide
Structure
Formula
C20H15BrN4O
Molecular Weight
407.271
Canonical SMILES
Cc1c(cnn1-c1ccccc1Br)C(=O)Nc1ccc2ccccc2n1
    Show/Hide
InChI
InChI=1S/C20H15BrN4O/c1-13-15(12-22-25(13)18-9-5-3-7-16(18)21)20(26)24-19-11-10-14-6-2-4-8-17(14)23-19/h2-12H,1H3,(H,23,24,26)
    Show/Hide
InChIKey
ATYUYECWVYSPBS-UHFFFAOYSA-N
Physicochemical Property
logP
4.74372
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137375527
ChEMBL ID
CHEMBL4555217
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: PT05054, Protein Wnt-3a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2.3 nM
   TI
   LI
   LO
   TS