Molecule card · MolClass #48674
17412045
17412045: 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
- 17412045Mitochondrial Fusion · compound_name
- MolClass ID
- 48674
- InChIKey
- QVHBEADFXGHPAA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c(C)c(c1(C))S(=O)(=O)ON2C(=O)c3ccccc3(C2(=O))
- Standard InChI
- InChI=1S/C18H17NO5S/c1-10-9-11(2)13(4)16(12(10)3)25(22,23)24-19-17(20)14-7-5-6-8-15(14)18(19)21/h5-9H,1-4H3
- Stored Murcko scaffold
- O(Sc1ccccc1)n2cc3ccccc3c2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.398 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.912
- 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 · 17412045