Molecule card · MolClass #50974
17411182
17411182: 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
- 17411182Mitochondrial Fusion · compound_name
- MolClass ID
- 50974
- InChIKey
- OXCANWVRLOKZDW-UHFFFAOYSA-N
- Canonical SMILES
- OC(CN(Cc1ccc(cc1)Cl)C(=O)Nc2cccc(F)c2)C(F)(F)F
- Standard InChI
- InChI=1S/C17H15ClF4N2O2/c18-12-6-4-11(5-7-12)9-24(10-15(25)17(20,21)22)16(26)23-14-3-1-2-13(19)8-14/h1-8,15,25H,9-10H2,(H,23,26)
- Stored Murcko scaffold
- [N]([CH]Nc1ccccc1)Cc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 390.76 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.304
- 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 · 17411182