Molecule card · MolClass #45331
17514561
17514561: 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
- 17514561Mitochondrial Fusion · compound_name
- MolClass ID
- 45331
- InChIKey
- VXIKATTUXREXJO-QGOAFFKASA-N
- Canonical SMILES
- COc2ccc(C=NS(=O)(=O)CCc1ccccc1)c(c2)OC
- Standard InChI
- InChI=1S/C17H19NO4S/c1-21-16-9-8-15(17(12-16)22-2)13-18-23(19,20)11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3/b18-13+
- Stored Murcko scaffold
- N(SCCc1ccccc1)=Cc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.319
- 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 · 17514561