Molecule card · MolClass #46432
24830312
24830312: 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
- 24830312Mitochondrial Fusion · compound_name
- MolClass ID
- 46432
- InChIKey
- UWKQTBRFDQZZRN-UHFFFAOYSA-N
- Canonical SMILES
- CC1CN(CC(C)O1)C=2CCCC(=O)C=2
- Standard InChI
- InChI=1S/C12H19NO2/c1-9-7-13(8-10(2)15-9)11-4-3-5-12(14)6-11/h6,9-10H,3-5,7-8H2,1-2H3
- Stored Murcko scaffold
- O1CCN(C2=C[CH]CCC2)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.
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 209.285 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.436
- 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 · 24830312