Molecule card · MolClass #37848
855576
855576: 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
- 855576Mitochondrial Fusion · compound_name
- MolClass ID
- 37848
- InChIKey
- Not recorded
- Canonical SMILES
- COc1ccc2[nH]c(nc2(c1))S(=O)Cc3ncc(C)c(OC)c3(C)
- Standard InChI
- null
- Stored Murcko scaffold
- n1ccccc1CSc2nc3ccccc3[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.
- LOPAC 01013#644
- Omeprazole#1701
- Lansoprazole#1931
- LANSOPRAZOLE#2342
- 3883#9716
- HMDB05026#24158
- 56422192#30247
- 855954#40628
- AZM261#92268
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.604
- 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 · 855576