Molecule card · MolClass #35545
7975819
7975819: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7975819Mitochondrial Fusion · compound_name
- MolClass ID
- 35545
- InChIKey
- ZONRWCNYSIYWPQ-UHFFFAOYSA-N
- Canonical SMILES
- Nc3cccc=2c3(=NC1(CCCCC1)[N+]=2([O-]))
- Standard InChI
- InChI=1S/C12H15N3O/c13-9-5-4-6-10-11(9)14-12(15(10)16)7-2-1-3-8-12/h4-6H,1-3,7-8,13H2
- Stored Murcko scaffold
- N1=c2ccccc2=[NH+]C13CCCCC3
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
- 2
- 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
- 64.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 217.267 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.647
- 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.
Mitochondrial Fusion
Dataset #19 · 7975819