Molecule card · MolClass #51033
17411056
17411056: 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
- 17411056Mitochondrial Fusion · compound_name
- MolClass ID
- 51033
- InChIKey
- RIHPHIYYNOTTIG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)cc(c1)NS(=O)(=O)c2ccc(cc2)Oc3ncc(cc3Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C20H16ClF3N2O3S/c1-12-7-13(2)9-15(8-12)26-30(27,28)17-5-3-16(4-6-17)29-19-18(21)10-14(11-25-19)20(22,23)24/h3-11,26H,1-2H3
- Stored Murcko scaffold
- n1ccccc1Oc2ccc(SNc3ccccc3)cc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 456.868 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.093
- 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 · 17411056