SKA-31   Click here for help

GtoPdb Ligand ID: 2335

Synonyms: 2-amino-beta-naphthothiazole | 2-aminonaphthiazole
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 1
Rotatable bonds 0
Topological polar surface area 67.15
Molecular weight 200.04
XLogP 2.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1nc2c(s1)ccc1c2cccc1
Isomeric SMILES Nc1nc2c(s1)ccc1c2cccc1
InChI InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)
InChI Key FECQXVPRUCCUIL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
benzo[e][1,3]benzothiazol-2-amine
Synonyms Click here for help
2-amino-beta-naphthothiazole | 2-aminonaphthiazole
Database Links Click here for help
BindingDB Ligand 31193
CAS Registry No. 40172-65-4 (source: NCI)
ChEMBL Ligand CHEMBL1709719
GtoPdb PubChem SID 135651046
PubChem CID 94880
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Tocris
SKA 31
Cat. No. 3670