General Information of the Compound
Compound ID
CP0528396
Compound Name
N,1-bis(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
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Structure
Formula
C24H21N3O
Molecular Weight
367.452
Canonical SMILES
Cc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccc(C)cc2)cc1
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InChI
InChI=1S/C24H21N3O/c1-17-8-12-20(13-9-17)25-24(28)22-16-27(21-14-10-18(2)11-15-21)26-23(22)19-6-4-3-5-7-19/h3-16H,1-2H3,(H,25,28)
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InChIKey
UNUDYAOUCQXNAY-UHFFFAOYSA-N
Physicochemical Property
logP
5.40844
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 141766242
ChEMBL ID
CHEMBL4797824
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: PT03382, Lysine-specific demethylase 5B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 323.4 nM
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