Molecule card · MolClass #47914
7976423
7976423: 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
- 7976423Mitochondrial Fusion · compound_name
- MolClass ID
- 47914
- InChIKey
- SHISYJAKZOFDCH-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(Cc1ccccc1)N2CCc3ccccc3(C2)
- Standard InChI
- InChI=1S/C16H17NO2S/c18-20(19,13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-9H,10-13H2
- Stored Murcko scaffold
- S(N1Cc2ccccc2CC1)Cc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.378 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.658
- 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 · 7976423