Molecule card · MolClass #51739
14730214
14730214: 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
- 14730214Mitochondrial Fusion · compound_name
- MolClass ID
- 51739
- InChIKey
- OMZJSRWQXMFMNE-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccccc3(c1cc(nc(n1)N2CCCCC2)C(F)(F)F)
- Standard InChI
- InChI=1S/C17H18F3N3O/c1-24-14-8-4-3-7-12(14)13-11-15(17(18,19)20)22-16(21-13)23-9-5-2-6-10-23/h3-4,7-8,11H,2,5-6,9-10H2,1H3
- Stored Murcko scaffold
- n1ccc(nc1N2CCCCC2)-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.608
- 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 · 14730214