General Information of the Compound
Compound ID
CP0239834
Compound Name
N'-(4-bromophenyl)-2-oxo-1H-quinoline-6-sulfonohydrazide
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Structure
Formula
C15H12BrN3O3S
Molecular Weight
394.25
Canonical SMILES
Brc1ccc(NNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1
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InChI
InChI=1S/C15H12BrN3O3S/c16-11-2-4-12(5-3-11)18-19-23(21,22)13-6-7-14-10(9-13)1-8-15(20)17-14/h1-9,18-19H,(H,17,20)
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InChIKey
WCZLYMAUPIMXLP-UHFFFAOYSA-N
Physicochemical Property
logP
2.596
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
91.06
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 127027132
ChEMBL ID
CHEMBL3764508
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 211.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 85 nM