General Information of the Compound
Compound ID
CP0562923
Compound Name
N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide
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Structure
Formula
C22H24N4O2
Molecular Weight
376.46
Canonical SMILES
O=C(NCCN1CCOCC1)c1cn(nc1-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C22H24N4O2/c27-22(23-11-12-25-13-15-28-16-14-25)20-17-26(19-9-5-2-6-10-19)24-21(20)18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,23,27)
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InChIKey
KHTGPYIYICOLJN-UHFFFAOYSA-N
Physicochemical Property
logP
2.6013
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
59.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 17469911
ChEMBL ID
CHEMBL4777289
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 = 310.2 nM
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