Molecule card · MolClass #44286
17408126
17408126: 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
- 17408126Mitochondrial Fusion · compound_name
- MolClass ID
- 44286
- InChIKey
- OYOUDKVZJGPDSU-UHFFFAOYSA-N
- Canonical SMILES
- O=C1C3C4CC(C3(C(=O)N1c2ccccn2))C(C4Br)Br
- Standard InChI
- InChI=1S/C14H12Br2N2O2/c15-11-6-5-7(12(11)16)10-9(6)13(19)18(14(10)20)8-3-1-2-4-17-8/h1-4,6-7,9-12H,5H2
- Stored Murcko scaffold
- n1ccccc1N2[CH]C3C([CH]2)C4CCC3C4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 400.065 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.31
- 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 · 17408126