Molecule card · MolClass #49960
22410584
22410584: 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
- 22410584Mitochondrial Fusion · compound_name
- MolClass ID
- 49960
- InChIKey
- MJACNWDRPKKPNG-UHFFFAOYSA-N
- Canonical SMILES
- CC2Cc1ccccc1N2C(=O)c4ccccc4(NS(=O)(=O)c3ccc(cc3)Br)
- Standard InChI
- InChI=1S/C22H19BrN2O3S/c1-15-14-16-6-2-5-9-21(16)25(15)22(26)19-7-3-4-8-20(19)24-29(27,28)18-12-10-17(23)11-13-18/h2-13,15,24H,14H2,1H3
- Stored Murcko scaffold
- S(Nc1ccccc1[CH]N2c3ccccc3CC2)c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 471.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.361
- 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 · 22410584