Molecule card · MolClass #43086
24805879
24805879: 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
- 24805879Mitochondrial Fusion · compound_name
- MolClass ID
- 43086
- InChIKey
- RIJMKDFNPATDPN-UHFFFAOYSA-N
- Canonical SMILES
- CCc2cccc3c(cn(CC(=O)NCC1CCCO1)c23)C(=O)C(F)(F)F
- Standard InChI
- InChI=1S/C19H21F3N2O3/c1-2-12-5-3-7-14-15(18(26)19(20,21)22)10-24(17(12)14)11-16(25)23-9-13-6-4-8-27-13/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3,(H,23,25)
- Stored Murcko scaffold
- O1CCCC1CN[CH]Cn2ccc3ccccc32
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
- 4
- 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
- 60.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.378 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.188
- 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 · 24805879