General Information of the Compound
Compound ID
CP0421622
Compound Name
2-hydroxy-5-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
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Structure
Formula
C11H9N3O4S
Molecular Weight
279.277
Canonical SMILES
Cc1ccc(O)c(c1)C(=O)Nc1ncc(s1)[N+]([O-])=O
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InChI
InChI=1S/C11H9N3O4S/c1-6-2-3-8(15)7(4-6)10(16)13-11-12-5-9(19-11)14(17)18/h2-5,15H,1H3,(H,12,13,16)
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InChIKey
DDZDDFMFSQEFRO-UHFFFAOYSA-N
Physicochemical Property
logP
2.31762
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
105.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
19

"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: 11587226
SID: 16689701
ChEMBL ID
CHEMBL407907
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: PT01503, Signal transducer and activator of transcription 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000495 HEK-Blue IL-6 Homo sapiens (Human)  1
1
IC50 = 3600 nM
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   LI
   LO
   TS