Molecule card · MolClass #48553
24797954
24797954: 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
- 24797954Mitochondrial Fusion · compound_name
- MolClass ID
- 48553
- InChIKey
- JHSBSXIBFOKABW-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(Cc1ccsc1))Cc3ccc(cc3)c4ccco4
- Standard InChI
- InChI=1S/C22H26N2O2S/c25-11-7-21-16-23(9-10-24(21)15-19-8-13-27-17-19)14-18-3-5-20(6-4-18)22-2-1-12-26-22/h1-6,8,12-13,17,21,25H,7,9-11,14-16H2
- Stored Murcko scaffold
- o1cccc1-c2ccc(cc2)CN3CCN(Cc4cscc4)CC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.521 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.844
- 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 · 24797954