Molecule card · MolClass #39681
24823080
24823080: 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
- 24823080Mitochondrial Fusion · compound_name
- MolClass ID
- 39681
- InChIKey
- FKWIMCQXBMGOHI-UHFFFAOYSA-O
- Canonical SMILES
- Cc4cccc(C)c4(NC(=O)C2(C)(c3cccc[n+]3(CC(=O)N2(Cc1cccs1))))
- Standard InChI
- InChI=1S/C23H23N3O2S/c1-16-8-6-9-17(2)21(16)24-22(28)23(3)19-11-4-5-12-25(19)15-20(27)26(23)14-18-10-7-13-29-18/h4-13H,14-15H2,1-3H3/p+1
- Stored Murcko scaffold
- s1cccc1CN2[CH]C[n+]3ccccc3C2[CH]Nc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 406.523 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.662
- 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 · 24823080