General Information of the Compound
Compound ID
CP0388974
Compound Name
N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
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Structure
Formula
C7H5ClN4OS
Molecular Weight
228.664
Canonical SMILES
Clc1cnc(NC(=O)c2cc[nH]n2)s1
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InChI
InChI=1S/C7H5ClN4OS/c8-5-3-9-7(14-5)11-6(13)4-1-2-10-12-4/h1-3H,(H,10,12)(H,9,11,13)
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InChIKey
UPADZLUUCMMKJN-UHFFFAOYSA-N
Physicochemical Property
logP
1.7719
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 71864212
ChEMBL ID
CHEMBL3604139
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 = 130 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 384 nM
   TI
   LI
   LO
   TS