Molecule card · MolClass #44376
856193
856193: 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
- 856193Mitochondrial Fusion · compound_name
- MolClass ID
- 44376
- InChIKey
- XOFDLIYIUJQTBA-FYWRMAATSA-N
- Canonical SMILES
- N#CC(=C(O)c1ccccc1)C=2CCCCCN=2
- Standard InChI
- InChI=1S/C15H16N2O/c16-11-13(14-9-5-2-6-10-17-14)15(18)12-7-3-1-4-8-12/h1,3-4,7-8,18H,2,5-6,9-10H2/b15-13+
- Stored Murcko scaffold
- N1=C(C=Cc2ccccc2)CCCCC1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 240.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.633
- 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 · 856193