Molecule card · MolClass #50523
17510760
17510760: 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
- 17510760Mitochondrial Fusion · compound_name
- MolClass ID
- 50523
- InChIKey
- SSYJOGFDCBRAOG-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(NCC(Nc1ccc(cc1)Cl)c2ccccc2)c3ccccc3
- Standard InChI
- InChI=1S/C20H19ClN2O2S/c21-17-11-13-18(14-12-17)23-20(16-7-3-1-4-8-16)15-22-26(24,25)19-9-5-2-6-10-19/h1-14,20,22-23H,15H2
- Stored Murcko scaffold
- S(NCC(Nc1ccccc1)c2ccccc2)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 66.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.897 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.764
- 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 · 17510760