Molecule card · MolClass #47769
24796218
24796218: 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
- 24796218Mitochondrial Fusion · compound_name
- MolClass ID
- 47769
- InChIKey
- OKXJVJAKOAJGBF-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C)c(OCCN1CC(C)OC(C)C1)c(c2)Br
- Standard InChI
- InChI=1S/C16H24BrNO2/c1-11-7-12(2)16(15(17)8-11)19-6-5-18-9-13(3)20-14(4)10-18/h7-8,13-14H,5-6,9-10H2,1-4H3
- Stored Murcko scaffold
- O(c1ccccc1)CCN2CCOCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 21.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.271 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.771
- 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 · 24796218