Molecule card · MolClass #45434
24809861
24809861: 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
- 24809861Mitochondrial Fusion · compound_name
- MolClass ID
- 45434
- InChIKey
- ZDWCQOYZZHXXAA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(c(C)c1)S(=O)(=O)Nc2c(C)nc3ncnn3(c2(O))
- Standard InChI
- InChI=1S/C14H15N5O3S/c1-8-4-5-11(9(2)6-8)23(21,22)18-12-10(3)17-14-15-7-16-19(14)13(12)20/h4-7,18,20H,1-3H3
- Stored Murcko scaffold
- n1cnn2cc(cnc12)NSc3ccccc3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.104
- 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 · 24809861