Molecule card · MolClass #42244
24818611
24818611: 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
- 24818611Mitochondrial Fusion · compound_name
- MolClass ID
- 42244
- InChIKey
- YUKBSASXSFBXCQ-UHFFFAOYSA-N
- Canonical SMILES
- C=CCN2C(=O)N(C(=O)OCC)c1cc(ccc12)Br
- Standard InChI
- InChI=1S/C13H13BrN2O3/c1-3-7-15-10-6-5-9(14)8-11(10)16(12(15)17)13(18)19-4-2/h3,5-6,8H,1,4,7H2,2H3
- Stored Murcko scaffold
- [N]1[CH][N]c2ccccc12
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.158 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.621
- 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 · 24818611