Molecule card · MolClass #48778
24830118
24830118: 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
- 24830118Mitochondrial Fusion · compound_name
- MolClass ID
- 48778
- InChIKey
- FMCCPPOAOQSGJN-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)CCc2c(C)c(C(=O)c1ccc(F)cc1)c3ccccn23
- Standard InChI
- InChI=1S/C20H18FNO3/c1-13-16(10-11-18(23)25-2)22-12-4-3-5-17(22)19(13)20(24)14-6-8-15(21)9-7-14/h3-9,12H,10-11H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]c2ccn3ccccc23
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.361 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.286
- 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 · 24830118