Molecule card · MolClass #50147
22406028
22406028: 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
- 22406028Mitochondrial Fusion · compound_name
- MolClass ID
- 50147
- InChIKey
- UEPXYDMWYLQACE-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(C)n(CCc1nc(cs1)c2ccc(cc2)C(C)(C)C)n3
- Standard InChI
- InChI=1S/C20H25N3S/c1-14-12-15(2)23(22-14)11-10-19-21-18(13-24-19)16-6-8-17(9-7-16)20(3,4)5/h6-9,12-13H,10-11H2,1-5H3
- Stored Murcko scaffold
- n1cccn1CCc2nc(cs2)-c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.499 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.168
- 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 · 22406028