Molecule card · MolClass #45784
24792744
24792744: 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
- 24792744Mitochondrial Fusion · compound_name
- MolClass ID
- 45784
- InChIKey
- KGXSTZZCBMWXET-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(cc2c3(NC(=O)C2(O)(CC(=O)c1ccco1)))Br
- Standard InChI
- InChI=1S/C15H12BrNO4/c1-8-5-9(16)6-10-13(8)17-14(19)15(10,20)7-11(18)12-3-2-4-21-12/h2-6,20H,7H2,1H3,(H,17,19)
- Stored Murcko scaffold
- o1cccc1[CH]CC2[CH]Nc3ccccc32
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.164 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.413
- 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 · 24792744