Molecule card · MolClass #25508
7973914
7973914: 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
- 7973914Antifungal Pump Inhibitors · compound_name7973914Mitochondrial Fusion · compound_name
- MolClass ID
- 25508
- InChIKey
- MUVFRCUPJBUCEJ-IZZDOVSWSA-N
- Canonical SMILES
- CC2(C)(N=C1C(CCCC1=[N+]2([O-]))=NO)
- Standard InChI
- InChI=1S/C9H13N3O2/c1-9(2)10-8-6(11-13)4-3-5-7(8)12(9)14/h13H,3-5H2,1-2H3/b11-6+
- Stored Murcko scaffold
- N1=C2[CH]CCCC2=[NH+]C1
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 195.219 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.122
- 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 · 7973914
Mitochondrial Fusion
Dataset #19 · 7973914