Molecule card · MolClass #35575
17412630
17412630: 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
- 17412630Mitochondrial Fusion · compound_name
- MolClass ID
- 35575
- InChIKey
- ULGLBHLNNGEJFQ-UHFFFAOYSA-N
- Canonical SMILES
- OCCNc3c(ccc=2c3(=NC1(CCCCC1)[N+]=2([O-])))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H18N4O4/c19-9-8-15-12-11(18(21)22)5-4-10-13(12)16-14(17(10)20)6-2-1-3-7-14/h4-5,15,19H,1-3,6-9H2
- 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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.318 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.151
- 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 · 17412630