Molecule card · MolClass #25557
26670860
26670860: 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
- 26670860Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 25557
- InChIKey
- KFFPBWZQPPESLP-UHFFFAOYSA-N
- Canonical SMILES
- CC1=NN=C(NN)N(N)C1(=O)
- Standard InChI
- InChI=1S/C4H8N6O/c1-2-3(11)10(6)4(7-5)9-8-2/h5-6H2,1H3,(H,7,9)
- Stored Murcko scaffold
- n1nccnc1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 156.146 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.131
- 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 · 26670860