Molecule card · MolClass #37917
17409223
17409223: 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
- 17409223Mitochondrial Fusion · compound_name
- MolClass ID
- 37917
- InChIKey
- RATDWVDVSQDWCF-LFIBNONCSA-N
- Canonical SMILES
- CC2=CC(=O)N3NC(=O)C(=NNc1ccccc1)C3(=N2)
- Standard InChI
- InChI=1S/C13H11N5O2/c1-8-7-10(19)18-12(14-8)11(13(20)17-18)16-15-9-5-3-2-4-6-9/h2-7,15H,1H3,(H,17,20)/b16-11+
- Stored Murcko scaffold
- N=1C=C[CH]N2N[CH]C(=NNc3ccccc3)C12
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.259 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.726
- 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 · 17409223