General Information of the Compound
Compound ID
CP0558277
Compound Name
4-azido-N-(5-nitro-1,3-thiazol-2-yl)benzamide
    Show/Hide
Formula
C10H6N6O3S
Molecular Weight
290.264
Canonical SMILES
[O-][N+](=O)c1cnc(NC(=O)c2ccc(cc2)N=[N+]=[N-])s1
    Show/Hide
InChI
InChI=1S/C10H6N6O3S/c11-15-14-7-3-1-6(2-4-7)9(17)13-10-12-5-8(20-10)16(18)19/h1-5H,(H,12,13,17)
    Show/Hide
InChIKey
WQBQEBBKGPVUCQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.2454
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
133.89
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL4790657
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 = 2500 nM
   TI
   LI
   LO
   TS