Molecule card · MolClass #36365
24783802
24783802: 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
- 24783802Mitochondrial Fusion · compound_name
- MolClass ID
- 36365
- InChIKey
- MZQUVURRXBRCHL-UHFFFAOYSA-N
- Canonical SMILES
- Oc2nc(c1ccc(cc1)Br)n3ccncc23
- Standard InChI
- InChI=1S/C12H8BrN3O/c13-9-3-1-8(2-4-9)11-15-12(17)10-7-14-5-6-16(10)11/h1-7,17H
- Stored Murcko scaffold
- n1ccn2c(c1)cnc2-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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.115 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.261
- 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 · 24783802