Molecule card · MolClass #42569
17402275
17402275: 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
- 17402275Mitochondrial Fusion · compound_name
- MolClass ID
- 42569
- InChIKey
- QZJIWOVUYKHSIM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)CSC2=CS(=O)(=O)c3ccccc3(N2)
- Standard InChI
- InChI=1S/C16H15NO2S2/c1-12-5-4-6-13(9-12)10-20-16-11-21(18,19)15-8-3-2-7-14(15)17-16/h2-9,11,17H,10H2,1H3
- Stored Murcko scaffold
- S1C=C(SCc2ccccc2)Nc3ccccc13
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.429 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.173
- 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 · 17402275