General Information of the Compound
Compound ID
CP0489197
Compound Name
4-bromo-N'-(4-bromophenyl)benzenesulfonohydrazide
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Structure
Formula
C12H10Br2N2O2S
Molecular Weight
406.099
Canonical SMILES
Brc1ccc(NNS(=O)(=O)c2ccc(Br)cc2)cc1
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InChI
InChI=1S/C12H10Br2N2O2S/c13-9-1-5-11(6-2-9)15-16-19(17,18)12-7-3-10(14)4-8-12/h1-8,15-16H
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InChIKey
WWYQFUUHPILXKG-UHFFFAOYSA-N
Physicochemical Property
logP
3.517
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 118706945
ChEMBL ID
CHEMBL3310974
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 = 374 nM
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