Molecule card · MolClass #51232
17387049
17387049: 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
- 17387049Mitochondrial Fusion · compound_name
- MolClass ID
- 51232
- InChIKey
- SBUQLFTZSSHMFG-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc3CSC(c1ccccc1(OC(=O)C(C)(C)C))SCc3(cc2(C))
- Standard InChI
- InChI=1S/C22H26O2S2/c1-14-10-16-12-25-20(26-13-17(16)11-15(14)2)18-8-6-7-9-19(18)24-21(23)22(3,4)5/h6-11,20H,12-13H2,1-5H3
- Stored Murcko scaffold
- S1Cc2ccccc2CSC1c3ccccc3
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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.574 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.578
- 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 · 17387049