Molecule card · MolClass #51454
14743003
14743003: 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
- 14743003Mitochondrial Fusion · compound_name
- MolClass ID
- 51454
- InChIKey
- IIEQLQKYHTVUKG-UHFFFAOYSA-N
- Canonical SMILES
- O=C(N1CCOCC1)N2CCN(CC2)C(c3ccccc3)c4ccccc4
- Standard InChI
- InChI=1S/C22H27N3O2/c26-22(25-15-17-27-18-16-25)24-13-11-23(12-14-24)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21H,11-18H2
- Stored Murcko scaffold
- O1CCN([CH]N2CCN(CC2)C(c3ccccc3)c4ccccc4)CC1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.47 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.162
- 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 · 14743003