General Information of the Compound
Compound ID
CP0381797
Compound Name
N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide
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Structure
Formula
C10H6ClF2N3O
Molecular Weight
257.627
Canonical SMILES
Fc1c[nH]nc1C(=O)Nc1ccc(F)cc1Cl
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InChI
InChI=1S/C10H6ClF2N3O/c11-6-3-5(12)1-2-8(6)15-10(17)9-7(13)4-14-16-9/h1-4H,(H,14,16)(H,15,17)
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InChIKey
OUTKIMDROHEBAR-UHFFFAOYSA-N
Physicochemical Property
logP
2.5936
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 16659607
SID: 26519658
ChEMBL ID
CHEMBL3604154
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 = 42 nM
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