Molecule card · MolClass #49255
24814739
24814739: 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
- 24814739Mitochondrial Fusion · compound_name
- MolClass ID
- 49255
- InChIKey
- STZGXWGAWPGTEZ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCc3ccc(OCCOCC[n+]2cn(C)c1ccccc12)c(CCCCC)c3
- Standard InChI
- InChI=1S/C28H41N2O2/c1-4-6-8-12-24-16-17-28(25(22-24)13-9-7-5-2)32-21-20-31-19-18-30-23-29(3)26-14-10-11-15-27(26)30/h10-11,14-17,22-23H,4-9,12-13,18-21H2,1-3H3/q+1
- Stored Murcko scaffold
- O(c1ccccc1)CCOCC[n+]2c[nH]c3ccccc32
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 15
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 437.638 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 9.121
- 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 · 24814739