Molecule card · MolClass #41195
24834924
24834924: 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
- 24834924Mitochondrial Fusion · compound_name
- MolClass ID
- 41195
- InChIKey
- LNIFWHGYXFJMDB-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)(F)c1cccc(c1)OCc3nnc2CCCn23
- Standard InChI
- InChI=1S/C13H12F3N3O/c14-13(15,16)9-3-1-4-10(7-9)20-8-12-18-17-11-5-2-6-19(11)12/h1,3-4,7H,2,5-6,8H2
- Stored Murcko scaffold
- n1nc2n(c1COc3ccccc3)CCC2
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.
- 1240243#15064
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.25 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.127
- 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 · 24834924