Molecule card · MolClass #27522
7977323
7977323: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7977323Antifungal Pump Inhibitors · compound_name7977323Mitochondrial Fusion · compound_name
- MolClass ID
- 27522
- InChIKey
- QDZGXGTWFYTNRW-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c1nccn1S(=O)(=O)c2cc(ccc2Cl)Cl
- Standard InChI
- InChI=1S/C12H12Cl2N2O2S/c1-8(2)12-15-5-6-16(12)19(17,18)11-7-9(13)3-4-10(11)14/h3-8H,1-2H3
- Stored Murcko scaffold
- n1ccn(Sc2ccccc2)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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 60.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.208 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.339
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 7977323
Mitochondrial Fusion
Dataset #19 · 7977323