Molecule card · MolClass #46025
24808065
24808065: 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
- 24808065Mitochondrial Fusion · compound_name
- MolClass ID
- 46025
- InChIKey
- BSDYREHAADAWBZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)Cc2nnc(NC(=O)Cc1cccs1)s2
- Standard InChI
- InChI=1S/C13H17N3OS2/c1-13(2,3)8-11-15-16-12(19-11)14-10(17)7-9-5-4-6-18-9/h4-6H,7-8H2,1-3H3,(H,14,16,17)
- Stored Murcko scaffold
- n1nc(sc1)N[CH]Cc2sccc2
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.
- 4256140#40128
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.426 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.313
- 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 · 24808065