General Information of the Compound
Compound ID
CP0433252
Compound Name
N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
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Structure
Formula
C10H8ClN3O
Molecular Weight
221.647
Canonical SMILES
Clc1ccccc1NC(=O)c1cc[nH]n1
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InChI
InChI=1S/C10H8ClN3O/c11-7-3-1-2-4-8(7)13-10(15)9-5-6-12-14-9/h1-6H,(H,12,14)(H,13,15)
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InChIKey
XGZGGDFTPYYPMV-UHFFFAOYSA-N
Physicochemical Property
logP
2.3154
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 668390
ChEMBL ID
CHEMBL1587607
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: PT01052, Polyunsaturated fatty acid lipoxygenase ALOX15
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000461 L-1236 Homo sapiens (Human)  1
1
IC50 = 618 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 645 nM
   TI
   LI
   LO
   TS