General Information of the Compound
Compound ID
CP0392589
Compound Name
3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide
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Structure
Formula
C14H10FN5O
Molecular Weight
283.266
Canonical SMILES
NC(=O)c1cc(F)cc(c1)-c1cc(ncn1)-n1cccn1
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InChI
InChI=1S/C14H10FN5O/c15-11-5-9(4-10(6-11)14(16)21)12-7-13(18-8-17-12)20-3-1-2-19-20/h1-8H,(H2,16,21)
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InChIKey
JEOLLIJNXNLLEV-UHFFFAOYSA-N
Physicochemical Property
logP
1.5673
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
86.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 122185330
ChEMBL ID
CHEMBL3603912
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 63095.73 nM
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