Molecule card · MolClass #41838
24802420
24802420: 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
- 24802420Mitochondrial Fusion · compound_name
- MolClass ID
- 41838
- InChIKey
- NSTLWHSMPLBQQH-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)c2ccc4C(=O)N(OS(=O)(=O)c1ccccc1)C(=O)c3cccc2c34
- Standard InChI
- InChI=1S/C19H11NO7S/c21-17-14-8-4-7-12-13(19(23)24)9-10-15(16(12)14)18(22)20(17)27-28(25,26)11-5-2-1-3-6-11/h1-10H,(H,23,24)
- Stored Murcko scaffold
- O(Sc1ccccc1)N2[CH]c3cccc4cccc([CH]2)c43
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 397.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.467
- 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 · 24802420