Molecule card · MolClass #51504
14740041
14740041: 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
- 14740041Mitochondrial Fusion · compound_name
- MolClass ID
- 51504
- InChIKey
- FRQLUQOXNGOXFP-SRZZPIQSSA-N
- Canonical SMILES
- Fc1ccc(cc1)CON=CC=3CCc2ccccc2C=3Cl
- Standard InChI
- InChI=1S/C18H15ClFNO/c19-18-15(8-7-14-3-1-2-4-17(14)18)11-21-22-12-13-5-9-16(20)10-6-13/h1-6,9-11H,7-8,12H2/b21-11+
- Stored Murcko scaffold
- N(OCc1ccccc1)=CC2=Cc3ccccc3CC2
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.
- 1910081#17065
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 0
- 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
- 21.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.77 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.344
- 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 · 14740041