Molecule card · MolClass #50013
22408649
22408649: 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
- 22408649Mitochondrial Fusion · compound_name
- MolClass ID
- 50013
- InChIKey
- CYQKGZRBXJEZDE-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccccc3(CNC(=O)c2ccccc2(OCc1ccc(F)cc1))
- Standard InChI
- InChI=1S/C22H20FNO3/c1-26-20-8-4-2-6-17(20)14-24-22(25)19-7-3-5-9-21(19)27-15-16-10-12-18(23)13-11-16/h2-13H,14-15H2,1H3,(H,24,25)
- Stored Murcko scaffold
- O(c1ccccc1[CH]NCc2ccccc2)Cc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.398 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.838
- 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 · 22408649