Molecule card · MolClass #50153
22405776
22405776: 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
- 22405776Mitochondrial Fusion · compound_name
- MolClass ID
- 50153
- InChIKey
- GUFDSIDFMZNZRO-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c2ccc(c(c2)[N+](=O)[O-])Cl
- Standard InChI
- InChI=1S/C16H9ClF6N2O4/c17-11-6-1-8(7-12(11)25(28)29)13(26)24-10-4-2-9(3-5-10)14(27,15(18,19)20)16(21,22)23/h1-7,27H,(H,24,26)
- Stored Murcko scaffold
- c1ccc(cc1)[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
- 92.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 442.698 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.336
- 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 · 22405776