Molecule card · MolClass #32711
24799848
24799848: 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
- 24799848Antifungal Pump Inhibitors · compound_name24799848Mitochondrial Fusion · compound_name
- MolClass ID
- 32711
- InChIKey
- QWNRSQZQVWSYTQ-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C1CCN(C1)c2nc3nonc3(nc2(NCCOC))
- Standard InChI
- InChI=1S/C15H25N7O2/c1-4-21(5-2)11-6-8-22(10-11)15-14(16-7-9-23-3)17-12-13(18-15)20-24-19-12/h11H,4-10H2,1-3H3,(H,16,17,19)
- Stored Murcko scaffold
- n1onc2nc(cnc12)N3CCCC3
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.
- 24799421#37305
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.405 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.471
- 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 · 24799848
Mitochondrial Fusion
Dataset #19 · 24799848