Molecule card · MolClass #45814
24819419
24819419: 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
- 24819419Mitochondrial Fusion · compound_name
- MolClass ID
- 45814
- InChIKey
- QFGAOOYGVRMMCB-BLLMUTORSA-N
- Canonical SMILES
- CON=CC1CCN(C1(=O))c2ncc(cc2Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C12H11ClF3N3O2/c1-21-18-5-7-2-3-19(11(7)20)10-9(13)4-8(6-17-10)12(14,15)16/h4-7H,2-3H2,1H3/b18-5+
- Stored Murcko scaffold
- n1ccccc1N2[CH]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.
No other molecules currently have this stored scaffold.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.683 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.833
- 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 · 24819419