General Information of the Compound
Compound ID
CP0537159
Compound Name
3-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
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Structure
Formula
C24H28N4O2
Molecular Weight
404.514
Canonical SMILES
CCc1ccc(cc1)-c1nn(cc1C(=O)NCCN1CCOCC1)-c1ccccc1
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InChI
InChI=1S/C24H28N4O2/c1-2-19-8-10-20(11-9-19)23-22(18-28(26-23)21-6-4-3-5-7-21)24(29)25-12-13-27-14-16-30-17-15-27/h3-11,18H,2,12-17H2,1H3,(H,25,29)
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InChIKey
POKUESGCUSOYAZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.1637
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
59.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 29206303
ChEMBL ID
CHEMBL4776759
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 = 1350.6 nM
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