Molecule card · MolClass #51528
14738809
14738809: 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
- 14738809Mitochondrial Fusion · compound_name
- MolClass ID
- 51528
- InChIKey
- LNTNWWHGEMJRFD-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccc(cc1)OC(F)F)Nc2cccc(c2)C(F)(F)F
- Standard InChI
- InChI=1S/C15H11F5N2O2/c16-13(17)24-12-6-4-10(5-7-12)21-14(23)22-11-3-1-2-9(8-11)15(18,19)20/h1-8,13H,(H2,21,22,23)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]Nc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.253 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.036
- 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 · 14738809