Molecule card · MolClass #48394
24837004
24837004: 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
- 24837004Mitochondrial Fusion · compound_name
- MolClass ID
- 48394
- InChIKey
- YBPFBBPDRMPWHA-ACCUITESSA-N
- Canonical SMILES
- O=S(=O)(C=Cc1ccccc1)Nc2cccc(c2)S(=O)(=O)NC=3CCCN=3
- Standard InChI
- InChI=1S/C18H19N3O4S2/c22-26(23,13-11-15-6-2-1-3-7-15)20-16-8-4-9-17(14-16)27(24,25)21-18-10-5-12-19-18/h1-4,6-9,11,13-14,20H,5,10,12H2,(H,19,21)/b13-11+
- Stored Murcko scaffold
- N1=C(NSc2cccc(c2)NSC=Cc3ccccc3)CCC1
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
- 7
- 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
- 121.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 405.494 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.5
- 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 · 24837004