Molecule card · MolClass #26168
24779210
24779210: 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
- 24779210Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 26168
- InChIKey
- TUCUMUIZGZZHSA-UHFFFAOYSA-N
- Canonical SMILES
- COCc1cc(O)n2nc(N)nc2(n1)
- Standard InChI
- InChI=1S/C7H9N5O2/c1-14-3-4-2-5(13)12-7(9-4)10-6(8)11-12/h2,13H,3H2,1H3,(H2,8,11)
- Stored Murcko scaffold
- n1cnn2cccnc12
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 195.179 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.533
- 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 · 24779210