Molecule card · MolClass #41418
24816305
24816305: 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
- 24816305Mitochondrial Fusion · compound_name
- MolClass ID
- 41418
- InChIKey
- CYDPGSASAZUIQB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1(C))OS(=O)(=O)C2=CN(C)C(=O)N(C)C2(=O)
- Standard InChI
- InChI=1S/C14H16N2O5S/c1-9-5-6-11(7-10(9)2)21-22(19,20)12-8-15(3)14(18)16(4)13(12)17/h5-8H,1-4H3
- Stored Murcko scaffold
- n1cncc(SOc2ccccc2)c1
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
- 6
- 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
- 92.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.366
- 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 · 24816305