Molecule card · MolClass #42384
4261951
4261951: 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
- 4261951Mitochondrial Fusion · compound_name
- MolClass ID
- 42384
- InChIKey
- UQEBKUFDCAZKBC-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(=O)n1nc(nc1(N))c2ccc(cc2)OC
- Standard InChI
- InChI=1S/C13H16N4O2/c1-3-4-11(18)17-13(14)15-12(16-17)9-5-7-10(19-2)8-6-9/h5-8H,3-4H2,1-2H3,(H2,14,15,16)
- Stored Murcko scaffold
- [N]1N=C(N=C1)c2ccccc2
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
- 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
- 83.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.292 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.607
- 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 · 4261951