Molecule card · MolClass #26457
7972473
7972473: 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
- 7972473Antifungal Pump Inhibitors · compound_name7972473Mitochondrial Fusion · compound_name
- MolClass ID
- 26457
- InChIKey
- FNBNVEUBMMBOQI-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Nn1cc2C(=O)N(C)C(=O)N(C)c2(c1)
- Standard InChI
- InChI=1S/C10H12N4O3/c1-6(15)11-14-4-7-8(5-14)12(2)10(17)13(3)9(7)16/h4-5H,1-3H3,(H,11,15)
- Stored Murcko scaffold
- n1cnc2c[nH]cc2c1
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 236.228 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.797
- 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 · 7972473
Mitochondrial Fusion
Dataset #19 · 7972473