Molecule card · MolClass #44344
24798127
24798127: 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
- 24798127Mitochondrial Fusion · compound_name
- MolClass ID
- 44344
- InChIKey
- NYZBQWFTOYAVOE-UHFFFAOYSA-N
- Canonical SMILES
- COC1CCCN(C1)Cc3nc(Cc2ccccc2(F))no3
- Standard InChI
- InChI=1S/C16H20FN3O2/c1-21-13-6-4-8-20(10-13)11-16-18-15(19-22-16)9-12-5-2-3-7-14(12)17/h2-3,5,7,13H,4,6,8-11H2,1H3
- Stored Murcko scaffold
- n1oc(nc1Cc2ccccc2)CN3CCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.241
- 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 · 24798127