Molecule card · MolClass #45746
14742403
14742403: 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
- 14742403Mitochondrial Fusion · compound_name
- MolClass ID
- 45746
- InChIKey
- DWIXADKDJHSOFY-MHWRWJLKSA-N
- Canonical SMILES
- O=C2c3ccccc3(N=C(NN=Cc1ccccc1)N2(O))
- Standard InChI
- InChI=1S/C15H12N4O2/c20-14-12-8-4-5-9-13(12)17-15(19(14)21)18-16-10-11-6-2-1-3-7-11/h1-10,21H,(H,17,18)/b16-10+
- Stored Murcko scaffold
- N(=Cc1ccccc1)Nc2ncc3ccccc3n2
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.
- 26725929#33881
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.282 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.822
- 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 · 14742403