cefoselis   Click here for help

GtoPdb Ligand ID: 12034

Synonyms: FK-037 | Wincef®
Approved drug
cefoselis is an approved drug (Japan)
Compound class: Synthetic organic
Comment: Cefoselis is a semisynthetic, fourth generation cephalosporin belonging to the β-lactam class of antibacterial compounds.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 258.64
Molecular weight 522.11
XLogP -4.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCCn1c(N)cc[n+]1CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N\OC)/c1csc(n1)N
Isomeric SMILES CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1ccc(n1CCO)N)C(=O)[O-]
InChI InChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H4,21,22,23,29,31,32)/b24-12-/t13-,17-/m1/s1
InChI Key BHXLLRXDAYEMPP-SBGRAJFYSA-N
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Molecular structure representations generated using Open Babel