Molecule card · MolClass #35615
22403577
22403577: 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
- 22403577Mitochondrial Fusion · compound_name
- MolClass ID
- 35615
- InChIKey
- QVSJLWVACPRPIK-UHFFFAOYSA-N
- Canonical SMILES
- C=Cn1cc[n+](CC(=O)C(C)(C)C)c1
- Standard InChI
- InChI=1S/C11H17N2O/c1-5-12-6-7-13(9-12)8-10(14)11(2,3)4/h5-7,9H,1,8H2,2-4H3/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
- 1
- 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
- 25.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 193.266 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.725
- 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 · 22403577