Molecule card · MolClass #48014
22408972
22408972: 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
- 22408972Mitochondrial Fusion · compound_name
- MolClass ID
- 48014
- InChIKey
- URYBUGFEPNGKRC-SEYXRHQNSA-N
- Canonical SMILES
- N#CC(C(=O)N1CCCC1)=C3N=C(N)c2ccccc23
- Standard InChI
- InChI=1S/C15H14N4O/c16-9-12(15(20)19-7-3-4-8-19)13-10-5-1-2-6-11(10)14(17)18-13/h1-2,5-6H,3-4,7-8H2,(H2,17,18)/b13-12-
- Stored Murcko scaffold
- N1=Cc2ccccc2C1=C[CH]N3CCCC3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.153
- 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 · 22408972