radezolid   Click here for help

GtoPdb Ligand ID: 10849

Synonyms: Rx-01_667 [1] | RX-103 | RX-1741 | RX103 | RX1741
PDB Ligand
Compound class: Synthetic organic
Comment: Radezolid (RX-1741) is an oxazolidinone class antibiotic. It has activity against Gram-positive and Gram-negative bacteria.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 112.24
Molecular weight 438.18
XLogP 3.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(cc1)CNCc1n[nH]nc1
Isomeric SMILES CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(cc1)CNCc1n[nH]nc1
InChI InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1
InChI Key BTTNOGHPGJANSW-IBGZPJMESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[[(5S)-3-[3-fluoro-4-[4-[(2H-triazol-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
International Nonproprietary Names Click here for help
INN number INN
8999 radezolid
Synonyms Click here for help
Rx-01_667 [1] | RX-103 | RX-1741 | RX103 | RX1741
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 166, 820
Other databases
CAS Registry No. 869884-78-6 (source: WHO INN record)
ChEMBL Ligand CHEMBL455461
DrugBank Ligand DB12339
GtoPdb PubChem SID 405560290
PubChem CID 11224409
RCSB PDB Ligand RD8
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