Molecule card · MolClass #42174
22414265
22414265: 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
- 22414265Mitochondrial Fusion · compound_name
- MolClass ID
- 42174
- InChIKey
- AYMFPCDOUSZSPF-UHFFFAOYSA-N
- Canonical SMILES
- CCN2C(=O)C=C(C)C=1C(=O)CC(C)(C)CC=12
- Standard InChI
- InChI=1S/C14H19NO2/c1-5-15-10-7-14(3,4)8-11(16)13(10)9(2)6-12(15)17/h6H,5,7-8H2,1-4H3
- Stored Murcko scaffold
- n1cccc2[CH]CCCc12
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
- 37.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 233.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.797
- 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 · 22414265