Molecule card · MolClass #41035
14733047
14733047: 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
- 14733047Mitochondrial Fusion · compound_name
- MolClass ID
- 41035
- InChIKey
- JIILDQFDAWMOHY-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(NC1CCCCC1)c3ccc(c2csnn2)s3
- Standard InChI
- InChI=1S/C12H15N3O2S3/c16-20(17,14-9-4-2-1-3-5-9)12-7-6-11(19-12)10-8-18-15-13-10/h6-9,14H,1-5H2
- Stored Murcko scaffold
- n1nc(cs1)-c2sc(SNC3CCCCC3)cc2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 136.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.465 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.039
- 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 · 14733047