flomoxef

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Ligands
flomoxef

GtoPdb Ligand ID: 12251

Synonyms: 6315-S | Flumarin®

Comment: Flomoxef is a second generation cephalosporin, belonging to the β-lactam class of antibacterial compounds and developed by the Shionogi Research Laboratories (Osaka, Japan) [1].

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	12
Hydrogen bond donors	3
Rotatable bonds	12
Topological polar surface area	219.6
Molecular weight	496.06
XLogP	-0.88
No. Lipinski's rules broken	2

SMILES / InChI / InChIKey

Canonical SMILES	OCCn1nnnc1SCC1=C(C(=O)O)N2[C@H](OC1)[C@](C2=O)(OC)NC(=O)CSC(F)F
Isomeric SMILES	CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSc1nnnn1CCO)C(=O)O)NC(=O)CSC(F)F
InChI	InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1
InChI Key	UHRBTBZOWWGKMK-DOMZBBRYSA-N