Molecule card · MolClass #42796
7970306
7970306: 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
- 7970306Mitochondrial Fusion · compound_name
- MolClass ID
- 42796
- InChIKey
- FYCYBNNFOJAZJQ-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCN(CC1)S(=O)(=O)c2ccc3NC(=O)c4cccc2c34
- Standard InChI
- InChI=1S/C16H17N3O3S/c1-18-7-9-19(10-8-18)23(21,22)14-6-5-13-15-11(14)3-2-4-12(15)16(20)17-13/h2-6H,7-10H2,1H3,(H,17,20)
- Stored Murcko scaffold
- S(c1ccc2[nH]cc3cccc1c32)N4CCNCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.968
- 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 · 7970306