Molecule card · MolClass #49206
24818202
24818202: 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
- 24818202Mitochondrial Fusion · compound_name
- MolClass ID
- 49206
- InChIKey
- VQIMBKUYHUCYOX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(nc(n1)n2cccc2)c3c(ccs3)Br
- Standard InChI
- InChI=1S/C13H10BrN3S/c1-9-8-11(12-10(14)4-7-18-12)16-13(15-9)17-5-2-3-6-17/h2-8H,1H3
- Stored Murcko scaffold
- n1ccc(nc1-n2cccc2)-c3sccc3
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
- 2
- 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
- 58.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.209 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.283
- 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 · 24818202