Molecule card · MolClass #1298
Moxalactam disodium salt
Moxalactam disodium 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
- Moxalactam disodium saltFlucanozole Synergizer · compound_name
- MolClass ID
- 1298
- InChIKey
- JWCSIUVGFCSJCK-LIUKBUMOSA-L
- Canonical SMILES
- COC3(NC(=O)C(C(=O)[O-])c1ccc(O)cc1)(C(=O)N2C(C(=O)[O-])=C(COC23)CSc4nnnn4(C))
- Standard InChI
- InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/p-2/t12-,18-,20+/m1/s1
- Stored Murcko scaffold
- n1n[nH]c(n1)SCC2=CN3[CH]C(N[CH]Cc4ccccc4)C3OC2
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
- 14
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 237.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 518.459 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.09
- 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 · Moxalactam disodium salt