Molecule card · MolClass #27572
4262283
4262283: 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
- 4262283Antifungal Pump Inhibitors · compound_name4262283Mitochondrial Fusion · compound_name
- MolClass ID
- 27572
- InChIKey
- OOPIHYFSVDTQGP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(cs1)C(=O)Nn2cnnc2
- Standard InChI
- InChI=1S/C8H8N4OS/c1-6-2-7(3-14-6)8(13)11-12-4-9-10-5-12/h2-5H,1H3,(H,11,13)
- Stored Murcko scaffold
- n1ncn(c1)N[CH]c2cscc2
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.
No other molecules currently have this stored scaffold.
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
- 88.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 208.242 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.211
- 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 · 4262283
Mitochondrial Fusion
Dataset #19 · 4262283