Molecule card · MolClass #37059
4243066
4243066: 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
- 4243066Mitochondrial Fusion · compound_name
- MolClass ID
- 37059
- InChIKey
- ZYWRBVJJNOXCES-UHFFFAOYSA-N
- Canonical SMILES
- CC2(C)(CC(=O)CC(C)(C)N2(OC(=O)c1ccccn1))
- Standard InChI
- InChI=1S/C15H20N2O3/c1-14(2)9-11(18)10-15(3,4)17(14)20-13(19)12-7-5-6-8-16-12/h5-8H,9-10H2,1-4H3
- Stored Murcko scaffold
- n1ccccc1[CH]ON2CC[CH]CC2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.373
- 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 · 4243066