Molecule card · MolClass #35555
857809
857809: 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
- 857809Mitochondrial Fusion · compound_name
- MolClass ID
- 35555
- InChIKey
- VYSAKSKGZSGFMC-UHFFFAOYSA-N
- Canonical SMILES
- CC=1C(=O)N(O)C(C)C(C)(C)[N+]=1([O-])
- Standard InChI
- InChI=1S/C8H14N2O3/c1-5-7(11)9(12)6(2)8(3,4)10(5)13/h6,12H,1-4H3
- Stored Murcko scaffold
- [N]1[CH]C=[NH+]CC1
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
- 1
- 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
- 66.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 186.209 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.425
- 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 · 857809