Molecule card · MolClass #25560
26671310
26671310: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 26671310Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 25560
- InChIKey
- LSWDNLDYKNRURG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(O)n2nnnc2(n1)
- Standard InChI
- InChI=1S/C5H5N5O/c1-3-2-4(11)10-5(6-3)7-8-9-10/h2,11H,1H3
- Stored Murcko scaffold
- n1nc2ncccn2n1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 151.126 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.148
- 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 · 26671310