cefclidin

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Ligands
cefclidin

GtoPdb Ligand ID: 10771

Synonyms: cefclidine | E-1040 | E1040

Comment: Cefclidin (E1040) is a fourth-generation cephalosporin antibacterial that disrupts cell wall formation [2-3]. It exhibits strong antibacterial activity against glucose non-fermentative bacillus bacteria, but is ineffective against gram-positive cocci.

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	11
Hydrogen bond donors	3
Rotatable bonds	9
Topological polar surface area	259.56
Molecular weight	550.14
XLogP	-4.91
No. Lipinski's rules broken	1

SMILES / InChI / InChIKey

Canonical SMILES	CO/N=C(/c1nsc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]12CCC(CC1)(CC2)C(=O)N
Isomeric SMILES	CO/N=C(/c1nsc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]12CCC(CC1)(CC2)C(=O)N
InChI	InChI=1S/C21H26N8O6S2/c1-35-26-11(14-25-20(23)37-27-14)15(30)24-12-16(31)28-13(18(32)33)10(9-36-17(12)28)8-29-5-2-21(3-6-29,4-7-29)19(22)34/h12,17H,2-9H2,1H3,(H5-,22,23,24,25,27,30,32,33,34)/b26-11-/t12-,17-,21?,29?/m1/s1
InChI Key	JUVHVMCKLDZLGN-TVNFHGJBSA-N