Molecule card · MolClass #49469
24799500
24799500: 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
- 24799500Mitochondrial Fusion · compound_name
- MolClass ID
- 49469
- InChIKey
- FHCZAQUNTSLAQY-UHFFFAOYSA-N
- Canonical SMILES
- OCC1(CCN(CC1)Cc2cc(F)cc(F)c2)Cc3cccc(c3)C(F)(F)F
- Standard InChI
- InChI=1S/C21H22F5NO/c22-18-9-16(10-19(23)11-18)13-27-6-4-20(14-28,5-7-27)12-15-2-1-3-17(8-15)21(24,25)26/h1-3,8-11,28H,4-7,12-14H2
- Stored Murcko scaffold
- c1ccc(cc1)CN2CCC(Cc3ccccc3)CC2
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.
- 24798325#49476
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 399.398 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.889
- 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 · 24799500