Molecule card · MolClass #43770
24804683
24804683: 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
- 24804683Mitochondrial Fusion · compound_name
- MolClass ID
- 43770
- InChIKey
- CUICAVLQGXKHLF-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)C#CC[N+]4(CC#Cc3cccc2ccccc23)(CCOCC4)
- Standard InChI
- InChI=1S/C26H24NO/c1-2-9-23(10-3-1)11-7-17-27(19-21-28-22-20-27)18-8-15-25-14-6-13-24-12-4-5-16-26(24)25/h1-6,9-10,12-14,16H,17-22H2/q+1
- Stored Murcko scaffold
- C(#CC[N+]1(CC#Cc2cccc3ccccc23)CCOCC1)c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 9.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.476 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.478
- 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 · 24804683