Molecule card · MolClass #45886
14732420
14732420: 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
- 14732420Mitochondrial Fusion · compound_name
- MolClass ID
- 45886
- InChIKey
- AUUPJFHVBZXKHL-UHFFFAOYSA-N
- Canonical SMILES
- N#CC3(Nc1ccccc1)(C(=O)Nc2ccccc23)
- Standard InChI
- InChI=1S/C15H11N3O/c16-10-15(18-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14(15)19/h1-9,18H,(H,17,19)
- Stored Murcko scaffold
- c1ccc(cc1)NC2[CH]Nc3ccccc32
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.
- 14733663#31443
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.268 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.138
- 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 · 14732420