Molecule card · MolClass #37192
860621
860621: 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
- 860621Mitochondrial Fusion · compound_name
- MolClass ID
- 37192
- InChIKey
- FNUVJTCGUJKSEQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C1OC=C(C=C1Br)C(=O)N2CCOCC2
- Standard InChI
- InChI=1S/C10H10BrNO4/c11-8-5-7(6-16-10(8)14)9(13)12-1-3-15-4-2-12/h5-6H,1-4H2
- Stored Murcko scaffold
- O1[CH]C=CC(=C1)[CH]N2CCOCC2
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
- 5
- 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
- 55.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.095 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.236
- 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 · 860621