Molecule card · MolClass #27388
24790985
24790985: 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
- 24790985Antifungal Pump Inhibitors · compound_name24790985Mitochondrial Fusion · compound_name
- MolClass ID
- 27388
- InChIKey
- IJENBJXOQZDGFF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc2nc(cc(N)n2(n1))C(C)(C)C
- Standard InChI
- InChI=1S/C11H16N4/c1-7-5-10-13-8(11(2,3)4)6-9(12)15(10)14-7/h5-6H,12H2,1-4H3
- Stored Murcko scaffold
- n1cccn2nccc12
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 204.272 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.693
- 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 · 24790985
Mitochondrial Fusion
Dataset #19 · 24790985