Molecule card · MolClass #42081
7973875
7973875: 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
- 7973875Mitochondrial Fusion · compound_name
- MolClass ID
- 42081
- InChIKey
- LTSLFNBPLYFMAG-FYWRMAATSA-N
- Canonical SMILES
- ON=C1CCC2CN(CC2(C1))C3CCCCC3
- Standard InChI
- InChI=1S/C14H24N2O/c17-15-13-7-6-11-9-16(10-12(11)8-13)14-4-2-1-3-5-14/h11-12,14,17H,1-10H2/b15-13+
- Stored Murcko scaffold
- [CH]1CCC2CN(CC2C1)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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 236.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.171
- 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 · 7973875