Molecule card · MolClass #44520
24814687
24814687: 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
- 24814687Mitochondrial Fusion · compound_name
- MolClass ID
- 44520
- InChIKey
- VPLPKIVQGJVXDR-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c1ccc(cc1)NN=Nc2ccccc2
- Standard InChI
- InChI=1S/C12H10N4O2/c17-16(18)12-8-6-11(7-9-12)14-15-13-10-4-2-1-3-5-10/h1-9H,(H,13,14)
- Stored Murcko scaffold
- N(=Nc1ccccc1)Nc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.234 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.223
- 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 · 24814687