Molecule card · MolClass #48286
851246
851246: 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
- 851246Mitochondrial Fusion · compound_name
- MolClass ID
- 48286
- InChIKey
- BFESJBSHENEDQD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)N3CN2CCN(C2)C3
- Standard InChI
- InChI=1S/C12H17N3O2S/c1-11-2-4-12(5-3-11)18(16,17)15-9-13-6-7-14(8-13)10-15/h2-5H,6-10H2,1H3
- Stored Murcko scaffold
- S(c1ccccc1)N2CN3CN(C2)CC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.244
- 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 · 851246