Molecule card · MolClass #45344
844483
844483: 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
- 844483Mitochondrial Fusion · compound_name
- MolClass ID
- 45344
- InChIKey
- UQKRKNYMJLVFPM-UHFFFAOYSA-N
- Canonical SMILES
- CC(CCN(C)C)OC(=O)c1ccc(o1)C(C)c2ccccc2
- Standard InChI
- InChI=1S/C19H25NO3/c1-14(12-13-20(3)4)22-19(21)18-11-10-17(23-18)15(2)16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3
- Stored Murcko scaffold
- o1cccc1Cc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.308
- 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 · 844483