Molecule card · MolClass #49088
24825905
24825905: 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
- 24825905Mitochondrial Fusion · compound_name
- MolClass ID
- 49088
- InChIKey
- DKHHYTUZTUVUMX-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N(c1ccccc1)C(NC3CC2CCC3(C2))=S
- Standard InChI
- InChI=1S/C17H24N2S/c1-12(2)19(15-6-4-3-5-7-15)17(20)18-16-11-13-8-9-14(16)10-13/h3-7,12-14,16H,8-11H2,1-2H3,(H,18,20)
- Stored Murcko scaffold
- [N]([CH]NC1CC2CCC1C2)c3ccccc3
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
- 2
- 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
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.861
- 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 · 24825905