Molecule card · MolClass #48912
24837754
24837754: 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
- 24837754Mitochondrial Fusion · compound_name
- MolClass ID
- 48912
- InChIKey
- OGLVYALPLFPIMI-UHFFFAOYSA-N
- Canonical SMILES
- CN(Cc1ccc(cc1)OC(F)F)Cc2nc(O)c3cc(cc(c3(n2))Br)Br
- Standard InChI
- InChI=1S/C18H15Br2F2N3O2/c1-25(8-10-2-4-12(5-3-10)27-18(21)22)9-15-23-16-13(17(26)24-15)6-11(19)7-14(16)20/h2-7,18H,8-9H2,1H3,(H,23,24,26)
- Stored Murcko scaffold
- n1cc2ccccc2nc1CNCc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 503.135 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.181
- 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 · 24837754