Molecule card · MolClass #41617
7973544
7973544: 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
- 7973544Mitochondrial Fusion · compound_name
- MolClass ID
- 41617
- InChIKey
- SSOPPFVENQERAP-UHFFFAOYSA-N
- Canonical SMILES
- c3cc(c1cn2CCSc2(n1))sc3
- Standard InChI
- InChI=1S/C9H8N2S2/c1-2-8(12-4-1)7-6-11-3-5-13-9(11)10-7/h1-2,4,6H,3,5H2
- Stored Murcko scaffold
- n1c2SCCn2cc1-c3sccc3
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
- 1
- 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
- 71.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 208.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.069
- 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 · 7973544