General Information of the Compound
Compound ID
CP0563794
Compound Name
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
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Structure
Formula
C23H26N4O3
Molecular Weight
406.486
Canonical SMILES
COc1ccc(cc1)-c1nn(cc1C(=O)NCCN1CCOCC1)-c1ccccc1
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InChI
InChI=1S/C23H26N4O3/c1-29-20-9-7-18(8-10-20)22-21(17-27(25-22)19-5-3-2-4-6-19)23(28)24-11-12-26-13-15-30-16-14-26/h2-10,17H,11-16H2,1H3,(H,24,28)
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InChIKey
IHDWKMSZHRGTGN-UHFFFAOYSA-N
Physicochemical Property
logP
2.6099
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
68.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 24250013
ChEMBL ID
CHEMBL4740221
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 = 238.2 nM
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