NS309   Click here for help

GtoPdb Ligand ID: 2317

Synonyms: NS-309
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 61.69
Molecular weight 229.96
XLogP 3.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ONC1=c2ccc(c(c2=NC1=O)Cl)Cl
Isomeric SMILES ONC1=c2ccc(c(c2=NC1=O)Cl)Cl
InChI InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,14H,(H,11,12,13)
InChI Key CVOUSAVHMDXCKG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6,7-dichloro-3-(hydroxyamino)-2H-indol-2-one
Synonyms Click here for help
NS-309
Database Links Click here for help
BindingDB Ligand 50275184
CAS Registry No. 18711-16-5 (source: Scifinder)
ChEMBL Ligand CHEMBL499968
GtoPdb PubChem SID 135650745
PubChem CID 11637204
RCSB PDB Ligand 1KP
Search Google for chemical match using the InChIKey CVOUSAVHMDXCKG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CVOUSAVHMDXCKG
UniChem Compound Search for chemical match using the InChIKey CVOUSAVHMDXCKG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CVOUSAVHMDXCKG-UHFFFAOYSA-N

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Tocris
NS 309
Cat. No. 3895