Molecule card · MolClass #44334
24707882
24707882: 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
- 24707882Mitochondrial Fusion · compound_name
- MolClass ID
- 44334
- InChIKey
- JGNAIXWLJTWOTO-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)S(=O)(=O)n2nc(cc2(N))OCc3cccs3
- Standard InChI
- InChI=1S/C15H15N3O4S2/c1-21-11-4-6-13(7-5-11)24(19,20)18-14(16)9-15(17-18)22-10-12-3-2-8-23-12/h2-9H,10,16H2,1H3
- Stored Murcko scaffold
- n1c(OCc2sccc2)ccn1Sc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 133.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.43 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.104
- 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 · 24707882