Molecule card · MolClass #36259
24707811
24707811: 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
- 24707811Mitochondrial Fusion · compound_name
- MolClass ID
- 36259
- InChIKey
- BHBCGKYLCOVGAF-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(c(c1)n2nnc(n2)c3nccs3)Br
- Standard InChI
- InChI=1S/C10H6BrN5S/c11-7-3-1-2-4-8(7)16-14-9(13-15-16)10-12-5-6-17-10/h1-6H
- Stored Murcko scaffold
- n1nn(nc1-c2nccs2)-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.
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
- 84.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.158 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.847
- 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 · 24707811