Molecule card · MolClass #41240
24814798
24814798: 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
- 24814798Mitochondrial Fusion · compound_name
- MolClass ID
- 41240
- InChIKey
- SFOJPNZKNUDNME-DJKKODMXSA-N
- Canonical SMILES
- Cc1ccnc(c1)N=Cc2nc(oc2(O))c3ccccc3Br
- Standard InChI
- InChI=1S/C16H12BrN3O2/c1-10-6-7-18-14(8-10)19-9-13-16(21)22-15(20-13)11-4-2-3-5-12(11)17/h2-9,21H,1H3/b19-9+
- Stored Murcko scaffold
- n1ccccc1N=Cc2nc(oc2)-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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.19 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.28
- 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 · 24814798