Molecule card · MolClass #46199
24811404
24811404: 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
- 24811404Mitochondrial Fusion · compound_name
- MolClass ID
- 46199
- InChIKey
- KANMWOQGNYWIRL-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)C(=O)c1ccc3CCc2cccc1c23
- Standard InChI
- InChI=1S/C15H15NO/c1-16(2)15(17)13-9-8-11-7-6-10-4-3-5-12(13)14(10)11/h3-5,8-9H,6-7H2,1-2H3
- Stored Murcko scaffold
- c1cc2cccc3c2c(c1)CC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 20.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.286 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.159
- 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 · 24811404