Molecule card · MolClass #26202
22412667
22412667: 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
- 22412667Antifungal Pump Inhibitors · compound_name22412667Mitochondrial Fusion · compound_name
- MolClass ID
- 26202
- InChIKey
- FZIMQMAYCYETLC-UHFFFAOYSA-N
- Canonical SMILES
- CCONC(=NC)c1nonc1(N)
- Standard InChI
- InChI=1S/C6H11N5O2/c1-3-12-11-6(8-2)4-5(7)10-13-9-4/h3H2,1-2H3,(H2,7,10)(H,8,11)
- Stored Murcko scaffold
- n1oncc1
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.
- 7974003#29286
- 14718843#31758
- 859289#36705
- CS(=O)(=O)NCCNC(=O)c1nonc1N#150931
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 185.184 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.157
- 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 · 22412667
Mitochondrial Fusion
Dataset #19 · 22412667