Molecule card · MolClass #42635
7967559
7967559: 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
- 7967559Mitochondrial Fusion · compound_name
- MolClass ID
- 42635
- InChIKey
- YNKSOXHOZIFYAN-UHFFFAOYSA-N
- Canonical SMILES
- O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)N4CCCCCC4
- Standard InChI
- InChI=1S/C17H18N2O3S/c20-17-13-7-5-6-12-15(9-8-14(18-17)16(12)13)23(21,22)19-10-3-1-2-4-11-19/h5-9H,1-4,10-11H2,(H,18,20)
- Stored Murcko scaffold
- S(c1ccc2[nH]cc3cccc1c32)N4CCCCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.403 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.547
- 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 · 7967559