SKF 89748   Click here for help

GtoPdb Ligand ID: 511

Synonyms: SK&F 89748 | SK&F 89748-A | SK&F-89748
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 60.55
Molecular weight 223.1
XLogP 2.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(c2c1CC(N)CC2)SC
Isomeric SMILES COc1ccc(c2c1CC(N)CC2)SC
InChI InChI=1S/C12H17NOS/c1-14-11-5-6-12(15-2)9-4-3-8(13)7-10(9)11/h5-6,8H,3-4,7,13H2,1-2H3
InChI Key YCSXMTWSPWKFIE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
8-methoxy-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine
Synonyms Click here for help
SK&F 89748 | SK&F 89748-A | SK&F-89748
Database Links Click here for help
BindingDB Ligand 50026830
CAS Registry No. 81998-18-7 (source: Scifinder)
ChEMBL Ligand CHEMBL280395
GtoPdb PubChem SID 135651057
PubChem CID 128805
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