Molecule card · MolClass #49964
22410334
22410334: 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
- 22410334Mitochondrial Fusion · compound_name
- MolClass ID
- 49964
- InChIKey
- ZNOFFEQKHKTFEW-UHFFFAOYSA-N
- Canonical SMILES
- CCc2ccccc2(NCC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl)
- Standard InChI
- InChI=1S/C17H16ClF3N2O/c1-2-11-5-3-4-6-15(11)22-10-16(24)23-12-7-8-14(18)13(9-12)17(19,20)21/h3-9,22H,2,10H2,1H3,(H,23,24)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]CNc2ccccc2
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.
- 22416882#34788
- 17516697#34952
- 7977407#51945
- 3716494#52239
- COc1ccc(Cl)cc1NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O#152341
- Cc1cccc(C)c1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O#152351
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
- 41.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.771 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.643
- 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 · 22410334