Molecule card · MolClass #35718
859341
859341: 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
- 859341Mitochondrial Fusion · compound_name
- MolClass ID
- 35718
- InChIKey
- NJJZHNHMKRHNOL-WEVVVXLNSA-N
- Canonical SMILES
- ON=C1CC3(Cc2nonc12)(OCCO3)
- Standard InChI
- InChI=1S/C8H9N3O4/c12-9-5-3-8(13-1-2-14-8)4-6-7(5)11-15-10-6/h12H,1-4H2/b9-5+
- Stored Murcko scaffold
- n1onc2c1[CH]CC3(OCCO3)C2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 211.175 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.188
- 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 · 859341