Molecule card · MolClass #41615
24783938
24783938: 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
- 24783938Mitochondrial Fusion · compound_name
- MolClass ID
- 41615
- InChIKey
- CZUPZJOIONIGLT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CN3CCN(CCCc2ccccc2)CC3(CCO)
- Standard InChI
- InChI=1S/C23H32N2O/c1-20-9-11-22(12-10-20)18-25-16-15-24(19-23(25)13-17-26)14-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-12,23,26H,5,8,13-19H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)CN2CCN(CC2)CCCc3ccccc3
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.
- 47197667#33926
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.514 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.765
- 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 · 24783938