Molecule card · MolClass #41289
24811575
24811575: 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
- 24811575Mitochondrial Fusion · compound_name
- MolClass ID
- 41289
- InChIKey
- FQSSLTJMEOYBMA-UHFFFAOYSA-N
- Canonical SMILES
- COc2cc(OC)c3C(N)=C(c1ccccc1)S(=O)(=O)c3(c2)
- Standard InChI
- InChI=1S/C16H15NO4S/c1-20-11-8-12(21-2)14-13(9-11)22(18,19)16(15(14)17)10-6-4-3-5-7-10/h3-9H,17H2,1-2H3
- Stored Murcko scaffold
- s1c2ccccc2cc1-c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.361 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.479
- 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 · 24811575