Molecule card · MolClass #36923
24830751
24830751: 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
- 24830751Mitochondrial Fusion · compound_name
- MolClass ID
- 36923
- InChIKey
- JXCMOSOLCSVRKX-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c3cc(COC(=O)c1nc2nccc(C)n2(n1))oc3(C)
- Standard InChI
- InChI=1S/C15H14N4O5/c1-8-4-5-16-15-17-12(18-19(8)15)14(21)23-7-10-6-11(9(2)24-10)13(20)22-3/h4-6H,7H2,1-3H3
- Stored Murcko scaffold
- n1cccn2nc(nc12)[CH]OCc3occc3
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.
- 24831300#31912
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.754
- 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 · 24830751