Molecule card · MolClass #45141
24817122
24817122: 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
- 24817122Mitochondrial Fusion · compound_name
- MolClass ID
- 45141
- InChIKey
- FHKZHCVRXTZXAM-UHFFFAOYSA-N
- Canonical SMILES
- CC1(OCCO1)c2ccc(c(c2)CS(=O)(=O)c3ccccc3)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C17H17NO6S/c1-17(23-9-10-24-17)14-7-8-16(18(19)20)13(11-14)12-25(21,22)15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3
- Stored Murcko scaffold
- O1CCOC1c2cccc(c2)CSc3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.387 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.538
- 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 · 24817122