Molecule card · MolClass #29288
7976251
7976251: 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
- 7976251Antifungal Pump Inhibitors · compound_name7976251Mitochondrial Fusion · compound_name
- MolClass ID
- 29288
- InChIKey
- OWJHPONOEAPEOA-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Nn2c(C)nnc2(n1nc(C)cc1(C))
- Standard InChI
- InChI=1S/C10H14N6O/c1-6-5-7(2)15(13-6)10-12-11-8(3)16(10)14-9(4)17/h5H,1-4H3,(H,14,17)
- Stored Murcko scaffold
- n1nc([nH]c1)-n2nccc2
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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.258 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.574
- 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 · 7976251
Mitochondrial Fusion
Dataset #19 · 7976251