General Information of the Compound
Compound ID
CP0191728
Compound Name
N'-(4-bromophenyl)-1-methyl-2-oxo-3H-indole-5-sulfonohydrazide
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Structure
Formula
C15H14BrN3O3S
Molecular Weight
396.266
Canonical SMILES
CN1C(=O)Cc2cc(ccc12)S(=O)(=O)NNc1ccc(Br)cc1
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InChI
InChI=1S/C15H14BrN3O3S/c1-19-14-7-6-13(8-10(14)9-15(19)20)23(21,22)18-17-12-4-2-11(16)3-5-12/h2-8,17-18H,9H2,1H3
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InChIKey
SOVRRLGABXCRGR-UHFFFAOYSA-N
Physicochemical Property
logP
2.2734
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
78.51
Hydrogen Bond Donor Count
2
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: 127039862
ChEMBL ID
CHEMBL3764144
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 = 365.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 75.8 nM