Molecule card · MolClass #35872
24780940
24780940: 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
- 24780940Mitochondrial Fusion · compound_name
- MolClass ID
- 35872
- InChIKey
- AJYXEKAMHHRQSR-UHFFFAOYSA-N
- Canonical SMILES
- CC[N+]1(CC)(CC2CCC(C)(C1)C2(C)(C))
- Standard InChI
- InChI=1S/C14H28N/c1-6-15(7-2)10-12-8-9-14(5,11-15)13(12,3)4/h12H,6-11H2,1-5H3/q+1
- Stored Murcko scaffold
- C1CC2C[NH2+]CC1C2
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 0 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 210.379 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.345
- 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 · 24780940