Molecule card · MolClass #47886
17402774
17402774: 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
- 17402774Mitochondrial Fusion · compound_name
- MolClass ID
- 47886
- InChIKey
- MGZXUABYVOFCOV-UHFFFAOYSA-N
- Canonical SMILES
- Cn1c3ccccc3(c(C=O)c1Sc2ccccc2Cl)
- Standard InChI
- InChI=1S/C16H12ClNOS/c1-18-14-8-4-2-6-11(14)12(10-19)16(18)20-15-9-5-3-7-13(15)17/h2-10H,1H3
- Stored Murcko scaffold
- S(c1ccccc1)c2cc3ccccc3[nH]2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.792 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.92
- 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 · 17402774