Molecule card · MolClass #43947
24816378
24816378: 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
- 24816378Mitochondrial Fusion · compound_name
- MolClass ID
- 43947
- InChIKey
- ZURUWJIOBITTCE-OVIREHMNSA-N
- Canonical SMILES
- O=[N+]([O-])C(N=Nc1ccccc1)=NNc2ccccc2
- Standard InChI
- InChI=1S/C13H11N5O2/c19-18(20)13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H/b16-13-,17-15?
- Stored Murcko scaffold
- N(=Nc1ccccc1)C=NNc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.259 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.753
- 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 · 24816378