Molecule card · MolClass #50623
17506657
17506657: 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
- 17506657Mitochondrial Fusion · compound_name
- MolClass ID
- 50623
- InChIKey
- DUUYHYIRJTUWIV-UHFFFAOYSA-N
- Canonical SMILES
- CN(c1ccccc1)C3CCCCC3(NS(=O)(=O)c2ccc(cc2)Cl)
- Standard InChI
- InChI=1S/C19H23ClN2O2S/c1-22(16-7-3-2-4-8-16)19-10-6-5-9-18(19)21-25(23,24)17-13-11-15(20)12-14-17/h2-4,7-8,11-14,18-19,21H,5-6,9-10H2,1H3
- Stored Murcko scaffold
- S(NC1CCCCC1Nc2ccccc2)c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 378.918 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.81
- 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 · 17506657