Molecule card · MolClass #49922
22411513
22411513: 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
- 22411513Mitochondrial Fusion · compound_name
- MolClass ID
- 49922
- InChIKey
- FUBOGCJYAYRPCO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)c3ccccc3(NS(=O)(=O)c2ccc(Cl)s2)
- Standard InChI
- InChI=1S/C18H15ClN2O3S2/c1-12-6-8-13(9-7-12)20-18(22)14-4-2-3-5-15(14)21-26(23,24)17-11-10-16(19)25-17/h2-11,21H,1H3,(H,20,22)
- Stored Murcko scaffold
- s1cccc1SNc2ccccc2[CH]Nc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 406.909 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.861
- 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 · 22411513