Molecule card · MolClass #49738
24785865
24785865: 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
- 24785865Mitochondrial Fusion · compound_name
- MolClass ID
- 49738
- InChIKey
- RBHYFHROWRTCEV-UHFFFAOYSA-N
- Canonical SMILES
- CN(c1ccccc1)C(=O)c3ccc(COc2ccccc2Br)o3
- Standard InChI
- InChI=1S/C19H16BrNO3/c1-21(14-7-3-2-4-8-14)19(22)18-12-11-15(24-18)13-23-17-10-6-5-9-16(17)20/h2-12H,13H2,1H3
- Stored Murcko scaffold
- [N]([CH]c1oc(cc1)COc2ccccc2)c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.239 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.268
- 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 · 24785865