Molecule card · MolClass #26580
24836907
24836907: 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
- 24836907Antifungal Pump Inhibitors · compound_name24836907Mitochondrial Fusion · compound_name
- MolClass ID
- 26580
- InChIKey
- HOLGSRYACJYTOF-UHFFFAOYSA-N
- Canonical SMILES
- CCCCC2=NN1CCS(=O)(=O)N=C1S2
- Standard InChI
- InChI=1S/C8H13N3O2S2/c1-2-3-4-7-9-11-5-6-15(12,13)10-8(11)14-7/h2-6H2,1H3
- Stored Murcko scaffold
- N=1SCCN2N=CSC12
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.551
- 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 · 24836907
Mitochondrial Fusion
Dataset #19 · 24836907