Molecule card · MolClass #46051
14730820
14730820: 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
- 14730820Mitochondrial Fusion · compound_name
- MolClass ID
- 46051
- InChIKey
- YIIVZXRADXADDE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n(n1)c2c(F)c(F)c(CO)c(F)c2(F)
- Standard InChI
- InChI=1S/C12H10F4N2O/c1-5-3-6(2)18(17-5)12-10(15)8(13)7(4-19)9(14)11(12)16/h3,19H,4H2,1-2H3
- Stored Murcko scaffold
- n1cccn1-c2ccccc2
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.
View all molecules with this 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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.215 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.413
- 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 · 14730820