Molecule card · MolClass #26929
24820740
24820740: 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
- 24820740Antifungal Pump Inhibitors · compound_name24820740Mitochondrial Fusion · compound_name
- MolClass ID
- 26929
- InChIKey
- ZVHDRAJISDUITG-UHFFFAOYSA-N
- Canonical SMILES
- c1cnn(c1)Cc2cnc(Cl)s2
- Standard InChI
- InChI=1S/C7H6ClN3S/c8-7-9-4-6(12-7)5-11-3-1-2-10-11/h1-4H,5H2
- Stored Murcko scaffold
- n1csc(c1)Cn2nccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 199.662 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.759
- 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 · 24820740
Mitochondrial Fusion
Dataset #19 · 24820740