U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C5H3N5O2S3
Molecular Weight 261.305
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Halicin

SMILES

NC1=NN=C(SC2=NC=C(S2)[N+]([O-])=O)S1

InChI

InChIKey=NQQBNZBOOHHVQP-UHFFFAOYSA-N
InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)

HIDE SMILES / InChI

Molecular Formula C5H3N5O2S3
Molecular Weight 261.305
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.7 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
Y4KQC5P9B2
Record Status Validated (UNII)
Record Version