Molecule card · MolClass #36229
859577
859577: 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
- 859577Mitochondrial Fusion · compound_name
- MolClass ID
- 36229
- InChIKey
- NUFKJJIXCWBCHD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn(CCO)c2CCCC(=O)c12
- Standard InChI
- InChI=1S/C10H14N2O2/c1-7-10-8(3-2-4-9(10)14)12(11-7)5-6-13/h13H,2-6H2,1H3
- Stored Murcko scaffold
- n1cc2[CH]CCCc2[nH]1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 194.231 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.221
- 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 · 859577