Molecule card · MolClass #37146
24826389
24826389: 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
- 24826389Mitochondrial Fusion · compound_name
- MolClass ID
- 37146
- InChIKey
- SJVKMHXGVUEMGN-UHFFFAOYSA-N
- Canonical SMILES
- CS(=O)(=O)c2ccc3nnn(OCC(=O)Nc1ccc(cc1Br)Br)c3(c2)
- Standard InChI
- InChI=1S/C15H12Br2N4O4S/c1-26(23,24)10-3-5-13-14(7-10)21(20-19-13)25-8-15(22)18-12-4-2-9(16)6-11(12)17/h2-7H,8H2,1H3,(H,18,22)
- Stored Murcko scaffold
- n1nn(OC[CH]Nc2ccccc2)c3ccccc13
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 504.154 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.964
- 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 · 24826389