Molecule card · MolClass #42135
4265231
4265231: 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
- 4265231Mitochondrial Fusion · compound_name
- MolClass ID
- 42135
- InChIKey
- XBADUKFAFYOLQO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn(c(C)c1Br)S(=O)(=O)N2CCCCC2
- Standard InChI
- InChI=1S/C10H16BrN3O2S/c1-8-10(11)9(2)14(12-8)17(15,16)13-6-4-3-5-7-13/h3-7H2,1-2H3
- Stored Murcko scaffold
- n1cccn1SN2CCCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.223 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.792
- 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 · 4265231