Molecule card · MolClass #38200
4256885
4256885: 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
- 4256885Mitochondrial Fusion · compound_name
- MolClass ID
- 38200
- InChIKey
- SXEHMQUOEBSYQA-UHFFFAOYSA-N
- Canonical SMILES
- COCCN1CC(=O)C(=C1(N))c2nc(O)c3ccccc3(n2)
- Standard InChI
- InChI=1S/C15H16N4O3/c1-22-7-6-19-8-11(20)12(13(19)16)14-17-10-5-3-2-4-9(10)15(21)18-14/h2-5H,6-8,16H2,1H3,(H,17,18,21)
- Stored Murcko scaffold
- n1cc2ccccc2nc1C3=CNC[CH]3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.313 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.15
- 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 · 4256885