cefaloridine

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Ligands
cefaloridine

GtoPdb Ligand ID: 12189

Synonyms: cephaloridine | ceporin

Comment: Cefaloridine (also known as cephaloridine) is a semisynthetic, first generation cephalosporin belonging to the β-lactam class of antibacterial compounds. It is a derivative of cephalosporin C and demonstrates broad-spectrum antibacterial activity against Gram-positive and Gram-negative bacteria [1].

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	1
Rotatable bonds	7
Topological polar surface area	146.96
Molecular weight	415.07
XLogP	1.3
No. Lipinski's rules broken	0

SMILES / InChI / InChIKey

Canonical SMILES	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccccc1)Cc1cccs1
Isomeric SMILES	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc1cccs1)C(=O)[O-])C[n+]1ccccc1
InChI	InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1
InChI Key	CZTQZXZIADLWOZ-CRAIPNDOSA-N