Molecule card · MolClass #36771
860765
860765: 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
- 860765Mitochondrial Fusion · compound_name
- MolClass ID
- 36771
- InChIKey
- GGHWSPNMKWTGLF-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C=1C=C(C(=O)N(C=1)c2cc(C)on2)Br
- Standard InChI
- InChI=1S/C11H9BrN2O4/c1-6-3-9(13-18-6)14-5-7(11(16)17-2)4-8(12)10(14)15/h3-5H,1-2H3
- Stored Murcko scaffold
- n1occc1N2C=CC=C[CH]2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.104 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.485
- 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 · 860765