Molecule card · MolClass #45849
24810896
24810896: 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
- 24810896Mitochondrial Fusion · compound_name
- MolClass ID
- 45849
- InChIKey
- HGERUGFZJKAXOY-VQHVLOKHSA-N
- Canonical SMILES
- O=C3NC(=O)C(=Cc1ccc(o1)N2CCOCC2)N3
- Standard InChI
- InChI=1S/C12H13N3O4/c16-11-9(13-12(17)14-11)7-8-1-2-10(19-8)15-3-5-18-6-4-15/h1-2,7H,3-6H2,(H2,13,14,16,17)/b9-7+
- Stored Murcko scaffold
- o1c(ccc1N2CCOCC2)C=C3[CH]N[CH]N3
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
- 6
- 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
- 83.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.25 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.628
- 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 · 24810896