General Information of the Compound
Compound ID
CP0122226
Compound Name
N-[(3-fluorophenyl)methyl]-2-(4-hydroxy-2-oxopyridin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
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Structure
Formula
C17H14FN3O3S
Molecular Weight
359.382
Canonical SMILES
Cc1nc(sc1C(=O)NCc1cccc(F)c1)-n1ccc(O)cc1=O
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InChI
InChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-3-2-4-12(18)7-11)25-17(20-10)21-6-5-13(22)8-14(21)23/h2-8,22H,9H2,1H3,(H,19,24)
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InChIKey
BHUCOKRFLNIIRI-UHFFFAOYSA-N
Physicochemical Property
logP
2.37712
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
84.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 54742333
SID: 56325831
ChEMBL ID
CHEMBL3104406
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: PT01587, Stearoyl-CoA desaturase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 137 nM
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