Molecule card · MolClass #43466
857868
857868: 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
- 857868Mitochondrial Fusion · compound_name
- MolClass ID
- 43466
- InChIKey
- OPFYRSXNSBYGDF-UHFFFAOYSA-N
- Canonical SMILES
- O=C1OC=C(C=C1Br)C(=O)N3CCCc2ccccc23
- Standard InChI
- InChI=1S/C15H12BrNO3/c16-12-8-11(9-20-15(12)19)14(18)17-7-3-5-10-4-1-2-6-13(10)17/h1-2,4,6,8-9H,3,5,7H2
- Stored Murcko scaffold
- O1[CH]C=CC(=C1)[CH]N2c3ccccc3CCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.165 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.406
- 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 · 857868