Molecule card · MolClass #40075
7973606
7973606: 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
- 7973606Mitochondrial Fusion · compound_name
- MolClass ID
- 40075
- InChIKey
- AAYGWEIDFUXEOA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)OS(=O)Nc3cccc2nccnc23
- Standard InChI
- InChI=1S/C15H13N3O2S/c1-11-5-7-12(8-6-11)20-21(19)18-14-4-2-3-13-15(14)17-10-9-16-13/h2-10,18H,1H3
- Stored Murcko scaffold
- n1ccnc2c1cccc2NSOc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.272
- 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 · 7973606