Molecule card · MolClass #25576
24836575
24836575: 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
- 24836575Antifungal Pump Inhibitors · compound_name24836575Mitochondrial Fusion · compound_name
- MolClass ID
- 25576
- InChIKey
- LVHGDSJZQCLVQX-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn1c(nnc1S)nc2(O)
- Standard InChI
- InChI=1S/C5H5N5OS/c1-2-3(11)6-4-7-8-5(12)10(4)9-2/h1H3,(H,8,12)(H,6,7,11)
- Stored Murcko scaffold
- n1nc2nccnn2c1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 183.192 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.929
- 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 · 24836575
Mitochondrial Fusion
Dataset #19 · 24836575