Molecule card · MolClass #49784
24782715
24782715: 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
- 24782715Mitochondrial Fusion · compound_name
- MolClass ID
- 49784
- InChIKey
- RXBLQAYKROWDQL-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)c2ccc(OCC(=O)N1CCCCCC1)c(c2)Br
- Standard InChI
- InChI=1S/C18H26BrNO2/c1-18(2,3)14-8-9-16(15(19)12-14)22-13-17(21)20-10-6-4-5-7-11-20/h8-9,12H,4-7,10-11,13H2,1-3H3
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]N2CCCCCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.088
- 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 · 24782715