Molecule card · MolClass #50292
17516909
17516909: 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
- 17516909Mitochondrial Fusion · compound_name
- MolClass ID
- 50292
- InChIKey
- MFTIYQNDXGKMMQ-UHFFFAOYSA-N
- Canonical SMILES
- CC(c1ccccc1)N(CC(=O)NC2CCCCC2)S(=O)(=O)c3cccc(c3)C(F)(F)F
- Standard InChI
- InChI=1S/C23H27F3N2O3S/c1-17(18-9-4-2-5-10-18)28(16-22(29)27-20-12-6-3-7-13-20)32(30,31)21-14-8-11-19(15-21)23(24,25)26/h2,4-5,8-11,14-15,17,20H,3,6-7,12-13,16H2,1H3,(H,27,29)
- Stored Murcko scaffold
- S(c1ccccc1)N(C[CH]NC2CCCCC2)Cc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 468.534 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.271
- 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 · 17516909