Molecule card · MolClass #36238
22414519
22414519: 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
- 22414519Mitochondrial Fusion · compound_name
- MolClass ID
- 36238
- InChIKey
- VIDVRVQOCVNHJG-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)C(=O)OCc1n(C)cc[n+]1(C)
- Standard InChI
- InChI=1S/C9H16N3O2/c1-10(2)9(13)14-7-8-11(3)5-6-12(8)4/h5-6H,7H2,1-4H3/q+1
- Stored Murcko scaffold
- c1c[nH+]c[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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 198.243 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.111
- 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 · 22414519