Molecule card · MolClass #42434
24824392
24824392: 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
- 24824392Mitochondrial Fusion · compound_name
- MolClass ID
- 42434
- InChIKey
- ATNRFBVDUQBSKN-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)c1ccccc1C3=Nc2ccccc2C(=O)N3(O)
- Standard InChI
- InChI=1S/C15H10N2O4/c18-14-11-7-3-4-8-12(11)16-13(17(14)21)9-5-1-2-6-10(9)15(19)20/h1-8,21H,(H,19,20)
- Stored Murcko scaffold
- n1cc2ccccc2nc1-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.251 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.15
- 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 · 24824392