Molecule card · MolClass #50625
17506673
17506673: 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
- 17506673Mitochondrial Fusion · compound_name
- MolClass ID
- 50625
- InChIKey
- CHVFSJQPSUUYIY-UHFFFAOYSA-N
- Canonical SMILES
- CSc1ccc(cc1)OC3CCCCC3(NS(=O)(=O)c2ccc(cc2)Cl)
- Standard InChI
- InChI=1S/C19H22ClNO3S2/c1-25-16-10-8-15(9-11-16)24-19-5-3-2-4-18(19)21-26(22,23)17-12-6-14(20)7-13-17/h6-13,18-19,21H,2-5H2,1H3
- Stored Murcko scaffold
- O(c1ccccc1)C2CCCCC2NSc3ccccc3
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.
- 17506515#50624
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 89.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 411.969 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.258
- 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 · 17506673