Molecule card · MolClass #30029
24824500
24824500: 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
- 24824500Antifungal Pump Inhibitors · compound_name24824500Mitochondrial Fusion · compound_name
- MolClass ID
- 30029
- InChIKey
- LOLAYERTFOYXRJ-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1cnc(nc1(O))n2nc(C)cc2(O)
- Standard InChI
- InChI=1S/C11H12N4O4/c1-3-19-10(18)7-5-12-11(13-9(7)17)15-8(16)4-6(2)14-15/h4-5,16H,3H2,1-2H3,(H,12,13,17)
- Stored Murcko scaffold
- n1cccnc1-n2nccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.975
- 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 · 24824500
Mitochondrial Fusion
Dataset #19 · 24824500