Molecule card · MolClass #27253
24791968
24791968: 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
- 24791968Antifungal Pump Inhibitors · compound_name24791968Mitochondrial Fusion · compound_name
- MolClass ID
- 27253
- InChIKey
- QUYUSYKRTLHZPF-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc3c1nc(O)cc(O)c1sc3(Nc2cccc(F)c2)
- Standard InChI
- InChI=1S/C14H8FN3O2S/c15-7-2-1-3-8(4-7)17-14-9(6-16)12-13(21-14)10(19)5-11(20)18-12/h1-5,17H,(H2,18,19,20)
- Stored Murcko scaffold
- n1cccc2sc(cc12)Nc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.556
- 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 · 24791968
Mitochondrial Fusion
Dataset #19 · 24791968