Molecule card · MolClass #48325
7972008
7972008: 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
- 7972008Mitochondrial Fusion · compound_name
- MolClass ID
- 48325
- InChIKey
- NGYOCZJOZFYKLF-UHFFFAOYSA-N
- Canonical SMILES
- O=C1OC(=Nc3c1c2CCCc2s3)c4cccs4
- Standard InChI
- InChI=1S/C13H9NO2S2/c15-13-10-7-3-1-4-8(7)18-12(10)14-11(16-13)9-5-2-6-17-9/h2,5-6H,1,3-4H2
- Stored Murcko scaffold
- N1=C(O[CH]c2c1sc3c2CCC3)c4sccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.743
- 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 · 7972008