Molecule card · MolClass #40217
7974201
7974201: 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
- 7974201Mitochondrial Fusion · compound_name
- MolClass ID
- 40217
- InChIKey
- OIRUKBOUGSUYNE-UHFFFAOYSA-N
- Canonical SMILES
- CCc2c(C)[n+]([O-])c1CCCc1[n+]2([O-])
- Standard InChI
- InChI=1S/C10H14N2O2/c1-3-8-7(2)11(13)9-5-4-6-10(9)12(8)14/h3-6H2,1-2H3
- Stored Murcko scaffold
- c1c[nH+]c2c([nH+]1)CCC2
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 194.231 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.969
- 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 · 7974201