Molecule card · MolClass #49285
24812850
24812850: 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
- 24812850Mitochondrial Fusion · compound_name
- MolClass ID
- 49285
- InChIKey
- AXBWQRMMPXXSBN-UHFFFAOYSA-N
- Canonical SMILES
- CCCCC(O)(c1ccc(cc1)Br)C(CNCCCCO)c2ccccc2
- Standard InChI
- InChI=1S/C23H32BrNO2/c1-2-3-15-23(27,20-11-13-21(24)14-12-20)22(18-25-16-7-8-17-26)19-9-5-4-6-10-19/h4-6,9-14,22,25-27H,2-3,7-8,15-18H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)CCc2ccccc2
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.
- LOPAC 00670#75
- Hexestrol#1416
- Levopropoxyphene napsylate#1983
- 621-95-4#3949
- 13024-49-2#5307
- 123094732#25086
- 47196040#26669
- 24812853#49284
- 24812802#49286
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 12
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 434.41 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.077
- 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 · 24812850