Molecule card · MolClass #42596
24819559
24819559: 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
- 24819559Mitochondrial Fusion · compound_name
- MolClass ID
- 42596
- InChIKey
- PKDYEQJIQDWHRT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(nc2CCCc12)S(=O)(=O)Cc3ccccc3Cl
- Standard InChI
- InChI=1S/C15H15ClN2O2S/c1-10-12-6-4-8-14(12)18-15(17-10)21(19,20)9-11-5-2-3-7-13(11)16/h2-3,5,7H,4,6,8-9H2,1H3
- Stored Murcko scaffold
- n1cc2c(nc1SCc3ccccc3)CCC2
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
- 4
- 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
- 68.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.811 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.07
- 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 · 24819559