Molecule card · MolClass #44417
856448
856448: 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
- 856448Mitochondrial Fusion · compound_name
- MolClass ID
- 44417
- InChIKey
- CFYYDILZUCNCFM-UHFFFAOYSA-N
- Canonical SMILES
- N#CC=1C(=O)CCCN2c3ccccc3(C=CC=12)
- Standard InChI
- InChI=1S/C15H12N2O/c16-10-12-14-8-7-11-4-1-2-5-13(11)17(14)9-3-6-15(12)18/h1-2,4-5,7-8H,3,6,9H2
- Stored Murcko scaffold
- c1ccc2c(c1)C=CC3=C[CH]CCCN32
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 236.269 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.26
- 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 · 856448