Molecule card · MolClass #38510
24824509
24824509: 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
- 24824509Mitochondrial Fusion · compound_name
- MolClass ID
- 38510
- InChIKey
- ONNYYHCXUXPIRO-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c1ccc(cc1n3ccccc23)OCC(=O)NN
- Standard InChI
- InChI=1S/C17H17N3O4/c1-2-23-17(22)16-12-7-6-11(24-10-15(21)19-18)9-14(12)20-8-4-3-5-13(16)20/h3-9H,2,10,18H2,1H3,(H,19,21)
- Stored Murcko scaffold
- c1ccc2c(c1)cc3ccccn32
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.
- 24841005#27196
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.512
- 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 · 24824509