Molecule card · MolClass #43242
24817774
24817774: 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
- 24817774Mitochondrial Fusion · compound_name
- MolClass ID
- 43242
- InChIKey
- NELPYWVWMMZRHW-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)COc2ccc(cc2(OC))C3C(CON3(C))S(=O)(=O)c4ccccc4
- Standard InChI
- InChI=1S/C25H27NO6S/c1-26-25(24(17-32-26)33(27,28)21-7-5-4-6-8-21)19-11-14-22(23(15-19)30-3)31-16-18-9-12-20(29-2)13-10-18/h4-15,24-25H,16-17H2,1-3H3
- Stored Murcko scaffold
- O1NC(c2ccc(OCc3ccccc3)cc2)C(Sc4ccccc4)C1
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 469.552 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.702
- 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 · 24817774