Molecule card · MolClass #1807
Cefuroxime sodium salt
Cefuroxime sodium salt: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Cefuroxime sodium saltFlucanozole Synergizer · compound_name
- MolClass ID
- 1807
- InChIKey
- JFPVXVDWJQMJEE-IZRZKJBUSA-M
- Canonical SMILES
- CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CSC12)c3ccco3
- Standard InChI
- InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/p-1/b19-9-/t10-,14-/m1/s1
- Stored Murcko scaffold
- o1cccc1[CH][CH]NC2[CH]N3C=CCSC32
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 201.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 423.379 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.284
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Flucanozole Synergizer
Dataset #3 · Cefuroxime sodium salt