Molecule card · MolClass #51808
14727682
14727682: 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
- 14727682Mitochondrial Fusion · compound_name
- MolClass ID
- 51808
- InChIKey
- QJCMMXJULTXAEV-CSKARUKUSA-N
- Canonical SMILES
- Oc1ccc(cc1)C=C2CCCC(=C2(O))C(=O)C(F)(F)F
- Standard InChI
- InChI=1S/C15H13F3O3/c16-15(17,18)14(21)12-3-1-2-10(13(12)20)8-9-4-6-11(19)7-5-9/h4-8,19-20H,1-3H2/b10-8+
- Stored Murcko scaffold
- c1ccc(cc1)C=C2C=CCCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.258 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.465
- 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 · 14727682