Molecule card · MolClass #49508
24796176
24796176: 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
- 24796176Mitochondrial Fusion · compound_name
- MolClass ID
- 49508
- InChIKey
- SXUOTFQUWLCREH-FOCLMDBBSA-N
- Canonical SMILES
- CCN2C(=O)C(c1cc(ccc12)Br)=C4C(=O)Nc3ccccc34
- Standard InChI
- InChI=1S/C18H13BrN2O2/c1-2-21-14-8-7-10(19)9-12(14)16(18(21)23)15-11-5-3-4-6-13(11)20-17(15)22/h3-9H,2H2,1H3,(H,20,22)/b16-15+
- Stored Murcko scaffold
- [N]1[CH]C(c2ccccc12)=C3[CH]Nc4ccccc43
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.212 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.331
- 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 · 24796176