Molecule card · MolClass #31490
7976051
7976051: 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
- 7976051Antifungal Pump Inhibitors · compound_name7976051Mitochondrial Fusion · compound_name
- MolClass ID
- 31490
- InChIKey
- OONCSHZYUWEPAC-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Cc1c(cc(NC(C)=O)s1)NC(C)=O
- Standard InChI
- InChI=1S/C12H18N2O2S/c1-7(2)5-11-10(13-8(3)15)6-12(17-11)14-9(4)16/h6-7H,5H2,1-4H3,(H,13,15)(H,14,16)
- Stored Murcko scaffold
- s1cccc1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 254.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.465
- 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 · 7976051
Mitochondrial Fusion
Dataset #19 · 7976051