Molecule card · MolClass #41098
24799811
24799811: 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
- 24799811Mitochondrial Fusion · compound_name
- MolClass ID
- 41098
- InChIKey
- ZEMAHOYXOAHHGN-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CN1CCN(CC1(CCO))Cc2ccc(C)s2
- Standard InChI
- InChI=1S/C16H28N2OS/c1-13(2)10-18-8-7-17(11-15(18)6-9-19)12-16-5-4-14(3)20-16/h4-5,13,15,19H,6-12H2,1-3H3
- Stored Murcko scaffold
- s1cccc1CN2CCNCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.473 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.093
- 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 · 24799811