Molecule card · MolClass #41725
24807699
24807699: 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
- 24807699Mitochondrial Fusion · compound_name
- MolClass ID
- 41725
- InChIKey
- CULLSSLORWHKRS-UHFFFAOYSA-N
- Canonical SMILES
- CCc2cccc3c(cn(CC(=O)N1CCOCC1)c23)C(=O)C(F)(F)F
- Standard InChI
- InChI=1S/C18H19F3N2O3/c1-2-12-4-3-5-13-14(17(25)18(19,20)21)10-23(16(12)13)11-15(24)22-6-8-26-9-7-22/h3-5,10H,2,6-9,11H2,1H3
- Stored Murcko scaffold
- O1CCN([CH]Cn2ccc3ccccc32)CC1
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.
- 4258882#41308
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 51.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.351 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.577
- 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 · 24807699