Molecule card · MolClass #31761
7975812
7975812: 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
- 7975812Antifungal Pump Inhibitors · compound_name7975812Mitochondrial Fusion · compound_name
- MolClass ID
- 31761
- InChIKey
- DSDPWHIBVHAATJ-UHFFFAOYSA-N
- Canonical SMILES
- CC2C(=O)NC(c1cccc(c1)Cl)S2
- Standard InChI
- InChI=1S/C10H10ClNOS/c1-6-9(13)12-10(14-6)7-3-2-4-8(11)5-7/h2-6,10H,1H3,(H,12,13)
- Stored Murcko scaffold
- S1C[CH]NC1c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 227.712 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.313
- 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 · 7975812
Mitochondrial Fusion
Dataset #19 · 7975812