General Information of the Compound
Compound ID
CP0149673
Compound Name
N-[(3,4-difluorophenyl)methyl]-2-(4-hydroxy-2-oxopyridin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
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Structure
Formula
C17H13F2N3O3S
Molecular Weight
377.372
Canonical SMILES
Cc1nc(sc1C(=O)NCc1ccc(F)c(F)c1)-n1ccc(O)cc1=O
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InChI
InChI=1S/C17H13F2N3O3S/c1-9-15(16(25)20-8-10-2-3-12(18)13(19)6-10)26-17(21-9)22-5-4-11(23)7-14(22)24/h2-7,23H,8H2,1H3,(H,20,25)
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InChIKey
RQIVVIRLGLYLGN-UHFFFAOYSA-N
Physicochemical Property
logP
2.51622
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
84.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 57744453
ChEMBL ID
CHEMBL3104407
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 = 48 nM
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