Molecule card · MolClass #36475
7967354
7967354: 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
- 7967354Mitochondrial Fusion · compound_name
- MolClass ID
- 36475
- InChIKey
- DFOHGWYKVLANSY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)N3C2C=CC(C2)C3(C(=O)O)
- Standard InChI
- InChI=1S/C14H15NO4S/c1-9-2-6-12(7-3-9)20(18,19)15-11-5-4-10(8-11)13(15)14(16)17/h2-7,10-11,13H,8H2,1H3,(H,16,17)
- Stored Murcko scaffold
- S(c1ccccc1)N2CC3C=CC2C3
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.
- 49714723#31901
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.701
- 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 · 7967354