A61603   Click here for help

GtoPdb Ligand ID: 480

Synonyms: A 61603 | A-61603
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 99.17
Molecular weight 309.11
XLogP 1.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1
Isomeric SMILES Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1
InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
InChI Key OQFCXJDXHCDLHX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
Synonyms Click here for help
A 61603 | A-61603
Database Links Click here for help
BindingDB Ligand 50118703
CAS Registry No. 750531-54-5 (source: Scifinder)
ChEMBL Ligand CHEMBL109783
GtoPdb PubChem SID 135649874
PubChem CID 4038180
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