Molecule card · MolClass #44172
24819884
24819884: 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
- 24819884Mitochondrial Fusion · compound_name
- MolClass ID
- 44172
- InChIKey
- GQIBOJVYQDEUDJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c(c(O)n1)S(=O)(=O)Cc2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C14H14ClNO3S/c1-9-7-10(2)16-14(17)13(9)20(18,19)8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3,(H,16,17)
- Stored Murcko scaffold
- n1cccc(SCc2ccccc2)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.
- 24818067#42393
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.785 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.079
- 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 · 24819884