Molecule card · MolClass #1785
Cephalothin sodium salt
Cephalothin sodium salt: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
3 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Cephalothin sodium saltFlucanozole Synergizer · compound_name23675321P.falciparum Sensitivity · compound_name855938Mitochondrial Fusion · compound_name
- MolClass ID
- 1785
- InChIKey
- XIURVHNZVLADCM-IUODEOHRSA-M
- Canonical SMILES
- CC(=O)OCC=2CSC3C(NC(=O)Cc1cccs1)C(=O)N3(C=2(C(=O)[O-]))
- Standard InChI
- InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/p-1/t12-,15-/m1/s1
- Stored Murcko scaffold
- s1cccc1C[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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 169.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.433 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.684
- 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 · Cephalothin sodium salt
P.falciparum Sensitivity
Dataset #8 · 23675321
Mitochondrial Fusion
Dataset #19 · 855938