Molecule card · MolClass #52551
24812519
24812519: 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
- 24812519Mitochondrial Fusion · compound_name
- MolClass ID
- 52551
- InChIKey
- CMBLEWLDTZWZPL-UHFFFAOYSA-N
- Canonical SMILES
- CC(c1cccs1)N(Cc2ccco2)C(Nc3ccccc3Cl)=S
- Standard InChI
- InChI=1S/C18H17ClN2OS2/c1-13(17-9-5-11-24-17)21(12-14-6-4-10-22-14)18(23)20-16-8-3-2-7-15(16)19/h2-11,13H,12H2,1H3,(H,20,23)
- Stored Murcko scaffold
- o1cccc1CN([CH]Nc2ccccc2)Cc3sccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.926 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.581
- 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 · 24812519