Molecule card · MolClass #48972
24830832
24830832: 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
- 24830832Mitochondrial Fusion · compound_name
- MolClass ID
- 48972
- InChIKey
- MFMAMQBHCIVIOI-RCCKNPSSSA-N
- Canonical SMILES
- CC1CC(CC(C)(C)C1)=NNc2cc(C)c3ccccc3(n2)
- Standard InChI
- InChI=1S/C19H25N3/c1-13-9-15(12-19(3,4)11-13)21-22-18-10-14(2)16-7-5-6-8-17(16)20-18/h5-8,10,13H,9,11-12H2,1-4H3,(H,20,22)/b21-15+
- Stored Murcko scaffold
- N(Nc1nc2ccccc2cc1)=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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.433
- 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 · 24830832