Molecule card · MolClass #44267
24799682
24799682: 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
- 24799682Mitochondrial Fusion · compound_name
- MolClass ID
- 44267
- InChIKey
- NWMFFXZEDJMYMX-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CC3C(=O)NCCN3(CC(c1ccccc1)c2ccccc2))NC4CC4
- Standard InChI
- InChI=1S/C23H27N3O2/c27-22(25-19-11-12-19)15-21-23(28)24-13-14-26(21)16-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21H,11-16H2,(H,24,28)(H,25,27)
- Stored Murcko scaffold
- c1ccc(cc1)C(c2ccccc2)CN3CCN[CH]C3C[CH]NC4CC4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.48 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.359
- 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 · 24799682