Molecule card · MolClass #49362
24810581
24810581: 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
- 24810581Mitochondrial Fusion · compound_name
- MolClass ID
- 49362
- InChIKey
- ZKSQEVKHZNUREQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1Cl)NC(=O)NCC2CCN(CC2)Cc3cccc(c3)Cl
- Standard InChI
- InChI=1S/C21H25Cl2N3O/c1-15-5-6-19(12-20(15)23)25-21(27)24-13-16-7-9-26(10-8-16)14-17-3-2-4-18(22)11-17/h2-6,11-12,16H,7-10,13-14H2,1H3,(H2,24,25,27)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]NCC2CCN(Cc3ccccc3)CC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 406.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.687
- 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 · 24810581