General Information of the Compound
Compound ID
CP0380105
Compound Name
N'-(4-bromophenyl)-4-methoxybenzenesulfonohydrazide
    Show/Hide
Structure
Formula
C13H13BrN2O3S
Molecular Weight
357.229
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
    Show/Hide
InChI
InChI=1S/C13H13BrN2O3S/c1-19-12-6-8-13(9-7-12)20(17,18)16-15-11-4-2-10(14)3-5-11/h2-9,15-16H,1H3
    Show/Hide
InChIKey
IUWXGYUVFSGCGI-UHFFFAOYSA-N
Physicochemical Property
logP
2.7631
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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
PubChem ID
CID: 4638522
ChEMBL ID
CHEMBL3310975
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 = 640 nM
   TI
   LI
   LO
   TS