Molecule card · MolClass #32287
7974982
7974982: 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
- 7974982Antifungal Pump Inhibitors · compound_name7974982Mitochondrial Fusion · compound_name
- MolClass ID
- 32287
- InChIKey
- IIJAWRLWQXPRNM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)NC2OC(=O)C(=C2Cl)Cl
- Standard InChI
- InChI=1S/C11H9Cl2NO4S/c1-6-2-4-7(5-3-6)19(16,17)14-10-8(12)9(13)11(15)18-10/h2-5,10,14H,1H3
- Stored Murcko scaffold
- O1[CH]C=CC1NSc2ccccc2
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.
- 4241095#38294
- Cc1ccccc1S(=O)(=O)NC1OC(=O)C(Br)=C1Br#151126
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 80.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.166 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.47
- 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 · 7974982
Mitochondrial Fusion
Dataset #19 · 7974982