Molecule card · MolClass #45349
7971390
7971390: 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
- 7971390Mitochondrial Fusion · compound_name
- MolClass ID
- 45349
- InChIKey
- MSZJNNMULKOVET-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(s1)S(=O)(=O)NCc2csc(n2)c3cccnc3
- Standard InChI
- InChI=1S/C15H15N3O2S3/c1-2-13-5-6-14(22-13)23(19,20)17-9-12-10-21-15(18-12)11-4-3-7-16-8-11/h3-8,10,17H,2,9H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)-c2nc(cs2)CNSc3sccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 136.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.497 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.964
- 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 · 7971390