Molecule card · MolClass #1951
Cefalonium
Cefalonium: 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
- CefaloniumFlucanozole Synergizer · compound_name
- MolClass ID
- 1951
- InChIKey
- FMZXNVLFJHCSAF-DNVCBOLYSA-N
- Canonical SMILES
- NC(=O)c1cc[n+](cc1)CC=3CSC4C(NC(=O)Cc2cccs2)C(=O)N4(C=3(C(=O)[O-]))
- Standard InChI
- InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1
- Stored Murcko scaffold
- s1cccc1C[CH]NC2[CH]N3C=C(CSC32)C[n+]4ccccc4
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 190.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 458.514 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.192
- 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 · Cefalonium