Molecule card · MolClass #47137
4255489
4255489: 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
- 4255489Mitochondrial Fusion · compound_name
- MolClass ID
- 47137
- InChIKey
- LEZZZYXWWOQIFT-UHFFFAOYSA-N
- Canonical SMILES
- CC3=C(NS(=O)(=O)c1ccc(Br)s1)C(=O)N(c2ccccc2)N3(C)
- Standard InChI
- InChI=1S/C15H14BrN3O3S2/c1-10-14(17-24(21,22)13-9-8-12(16)23-13)15(20)19(18(10)2)11-6-4-3-5-7-11/h3-9,17H,1-2H3
- Stored Murcko scaffold
- s1cccc1SNC2=CNN([CH]2)c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 428.326 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.253
- 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 · 4255489