Molecule card · MolClass #47936
24785750
24785750: 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
- 24785750Mitochondrial Fusion · compound_name
- MolClass ID
- 47936
- InChIKey
- OYWAOALBHXJOBZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)N1C(=O)N(C)C2C1N(C(C)=O)C(=O)N2(C(C)=O)
- Standard InChI
- InChI=1S/C11H14N4O5/c1-5(16)13-8-9(15(7(3)18)11(13)20)14(6(2)17)10(19)12(8)4/h8-9H,1-4H3
- Stored Murcko scaffold
- [N]1[CH][N]C2[N][CH][N]C12
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.
- 843634#48421
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.253 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.404
- 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 · 24785750