Bioactive Compound Details

BioIDbio199400
NameNone
ChEMBL IDCHEMBL2047839
Molecular FormulaC14H12N4O4S
Molecular Weight332.34
Molecular Weight (Monoisotopic)332.0579
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms4-[(2-Cyanophenyl)Ureido]Phenyl Sulfamate
SmilesN#Cc1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
InchiInChI=1S/C14H12N4O4S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
Inchi KeyHDMSKTALDJMCHU-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities12.0
Np Likeness Score-1.81
Records Key['3au, BO590', '24f', '44']
Records Name['4-[(2-cyanophenyl)ureido]phenyl sulfamate', '4-(3-(2-cyanophenyl)ureido)phenyl sulfamate', '4-(3-(2-cyanophenyl)ureido)phenyl sulfamate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure