Molecule card · MolClass #49076
24826600
24826600: 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
- 24826600Mitochondrial Fusion · compound_name
- MolClass ID
- 49076
- InChIKey
- ALFWJIDUOABPHT-AYSLTRBKSA-N
- Canonical SMILES
- CC(=NNC(N)=S)C3C2C5CC1C4CC(C12)C3C45
- Standard InChI
- InChI=1S/C14H19N3S/c1-4(16-17-14(15)18)9-12-7-2-5-6-3-8(10(5)12)13(9)11(6)7/h5-13H,2-3H2,1H3,(H3,15,17,18)/b16-4+
- Stored Murcko scaffold
- C1C2C3CC4C5CC(C1C35)C24
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.387 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.712
- 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 · 24826600