Molecule card · MolClass #46507
24823474
24823474: 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
- 24823474Mitochondrial Fusion · compound_name
- MolClass ID
- 46507
- InChIKey
- KWVXJJQKIKNJOO-DAXSKMNVSA-N
- Canonical SMILES
- CC(=O)NC(=Cc1ccc(Br)s1)C(=O)O
- Standard InChI
- InChI=1S/C9H8BrNO3S/c1-5(12)11-7(9(13)14)4-6-2-3-8(10)15-6/h2-4H,1H3,(H,11,12)(H,13,14)/b7-4-
- Stored Murcko scaffold
- s1cccc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.135 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.193
- 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 · 24823474