Molecule card · MolClass #36970
3716695
3716695: 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
- 3716695Mitochondrial Fusion · compound_name
- MolClass ID
- 36970
- InChIKey
- FUXSFVMABUXHAY-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc2c(c1)SC3=NCCS(=O)(=O)N23
- Standard InChI
- InChI=1S/C10H10N2O3S2/c1-15-7-2-3-8-9(6-7)16-10-11-4-5-17(13,14)12(8)10/h2-3,6H,4-5H2,1H3
- Stored Murcko scaffold
- N1=C2Sc3ccccc3N2SCC1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.61
- 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 · 3716695