Molecule card · MolClass #36725
856226
856226: 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
- 856226Mitochondrial Fusion · compound_name
- MolClass ID
- 36725
- InChIKey
- MQIHSSGFLMZPAH-UHFFFAOYSA-N
- Canonical SMILES
- [O-][n+]2onc1C(CCC(c12)N3CCOCC3)N4CCOCC4
- Standard InChI
- InChI=1S/C14H22N4O4/c19-18-14-12(17-5-9-21-10-6-17)2-1-11(13(14)15-22-18)16-3-7-20-8-4-16/h11-12H,1-10H2
- Stored Murcko scaffold
- n1o[nH+]c2c1C(N3CCOCC3)CCC2N4CCOCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.67
- 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 · 856226