contezolid acefosamil (parent)   Click here for help

GtoPdb Ligand ID: 10796

Synonyms: MRX-4
Compound class: Synthetic organic
Comment: Contezolid acefosamil is delivered as the sodium salt, which is represented by PubChem CID 131750213. We show the structure for the parent molecule here. The active moiety contezolid acts as a potent oxazolidinone antibiotic against Gram-positive pathogens [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 152.53
Molecular weight 530.08
XLogP 2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CN(P(=O)(OC(=O)C)O)c1ccon1
Isomeric SMILES O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CN(P(=O)(OC(=O)C)O)c1ccon1
InChI InChI=1S/C20H18F3N4O8P/c1-11(28)35-36(31,32)27(16-4-7-33-24-16)10-13-9-26(20(30)34-13)15-8-14(21)19(18(23)17(15)22)25-5-2-12(29)3-6-25/h2,4-5,7-8,13H,3,6,9-10H2,1H3,(H,31,32)/t13-/m1/s1
InChI Key YCRAGJLWFBGKFE-CYBMUJFWSA-N
Classification Click here for help
Compound class Synthetic organic
Is prodrug? Yes
Active form contezolid
Synonyms Click here for help
MRX-4
Database Links Click here for help
CAS Registry No. 1807497-11-5 (source: PubChem)
ChEMBL Ligand CHEMBL4301914
GtoPdb PubChem SID 405560237
PubChem CID 91864617
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