General Information of the Compound
Compound ID
CP0175010
Compound Name
2-(4-hydroxy-2-oxopyridin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
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Structure
Formula
C16H14N4O3S
Molecular Weight
342.38
Canonical SMILES
Cc1nc(sc1C(=O)NCc1ccncc1)-n1ccc(O)cc1=O
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InChI
InChI=1S/C16H14N4O3S/c1-10-14(15(23)18-9-11-2-5-17-6-3-11)24-16(19-10)20-7-4-12(21)8-13(20)22/h2-8,21H,9H2,1H3,(H,18,23)
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InChIKey
SOWJLDHBDIKHKP-UHFFFAOYSA-N
Physicochemical Property
logP
1.63302
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
97.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
24

"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: 54742337
SID: 56325998
ChEMBL ID
CHEMBL3104410
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 > 1000 nM
   TI
   LI
   LO
   TS