Molecule card · MolClass #36580
24822691
24822691: 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
- 24822691Mitochondrial Fusion · compound_name
- MolClass ID
- 36580
- InChIKey
- NSEOSOQAXYQHOQ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1N3C(=O)Nc2ccccc2N3(O))C(=O)O
- Standard InChI
- InChI=1S/C15H13N3O5/c1-23-13-7-6-9(14(19)20)8-12(13)17-15(21)16-10-4-2-3-5-11(10)18(17)22/h2-8,22H,1H3,(H,16,21)(H,19,20)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]Nc3ccccc3N2
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.281 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.97
- 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 · 24822691