Molecule card · MolClass #32843
24779654
24779654: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24779654Antifungal Pump Inhibitors · compound_name24779654Mitochondrial Fusion · compound_name
- MolClass ID
- 32843
- InChIKey
- RHGPTOUJLXZQEP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(cnc1(N))c2ccc(C(=O)O)s2
- Standard InChI
- InChI=1S/C11H10N2O2S/c1-6-4-7(5-13-10(6)12)8-2-3-9(16-8)11(14)15/h2-5H,1H3,(H2,12,13)(H,14,15)
- Stored Murcko scaffold
- n1cccc(c1)-c2sccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.149
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 24779654
Mitochondrial Fusion
Dataset #19 · 24779654