Molecule card · MolClass #42057
14722173
14722173: 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
- 14722173Mitochondrial Fusion · compound_name
- MolClass ID
- 42057
- InChIKey
- UYXIQNHXDHUPAM-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C=1CC(=O)N(C=1(C))C2CCCCC2
- Standard InChI
- InChI=1S/C13H19NO3/c1-9-11(13(16)17-2)8-12(15)14(9)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3
- Stored Murcko scaffold
- C1=CC[CH]N1C2CCCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 237.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.524
- 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 · 14722173