ARP100   Click here for help

GtoPdb Ligand ID: 5140

Synonyms: ARP 100 | ARP-100
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 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 104.32
Molecular weight 364.11
XLogP 2.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ONC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)OC(C)C
Isomeric SMILES ONC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)OC(C)C
InChI InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)
InChI Key PHGLPDURIUEELR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-hydroxy-2-[N-(propan-2-yloxy)(4-phenylbenzene)sulfonamido]acetamide
Synonyms Click here for help
ARP 100 | ARP-100
Database Links Click here for help
CAS Registry No. 704888-90-4
ChEMBL Ligand CHEMBL181244
GtoPdb PubChem SID 178101832
PubChem CID 10044321
RCSB PDB Ligand 10B
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Tocris
ARP 100
Cat. No. 2621