Molecule card · MolClass #37317
24797933
24797933: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24797933Mitochondrial Fusion · compound_name
- MolClass ID
- 37317
- InChIKey
- VHWBCWSGVRHVST-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N3CCN(Cc1cccc2nonc12)CC3(CCO)
- Standard InChI
- InChI=1S/C16H24N4O2/c1-12(2)20-8-7-19(11-14(20)6-9-21)10-13-4-3-5-15-16(13)18-22-17-15/h3-5,12,14,21H,6-11H2,1-2H3
- Stored Murcko scaffold
- n1onc2c1cccc2CN3CCNCC3
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.
- 24800048#39793
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.635
- 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.
Mitochondrial Fusion
Dataset #19 · 24797933