Molecule card · MolClass #9192
Oxacillin
Oxacillin: 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
- OxacillinBlood Brain Barrier · compound_name
- MolClass ID
- 9192
- InChIKey
- IAZYTLPOECRMKQ-GRDNDAEWSA-N
- Canonical SMILES
- Cc4onc(c1ccccc1)c4(C(=O)NC3C2N(C(C(=O)O)C(C)(C)S2)[C-]3(=O))
- Standard InChI
- InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/q-1/t13-,14-,17+/m0/s1
- Stored Murcko scaffold
- n1occ([CH]NC2[CH-]N3CCSC32)c1-c4ccccc4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 138.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.446 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.569
- 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.
Blood Brain Barrier
Dataset #7 · Oxacillin