Molecule card · MolClass #47103
24801689
24801689: 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
- 24801689Mitochondrial Fusion · compound_name
- MolClass ID
- 47103
- InChIKey
- BUZHKGXZGKMOHM-UHFFFAOYSA-N
- Canonical SMILES
- CCC3(CC)(Cc1ccccc1c2nc(NCCCO)nc(O)c23)
- Standard InChI
- InChI=1S/C19H25N3O2/c1-3-19(4-2)12-13-8-5-6-9-14(13)16-15(19)17(24)22-18(21-16)20-10-7-11-23/h5-6,8-9,23H,3-4,7,10-12H2,1-2H3,(H2,20,21,22,24)
- Stored Murcko scaffold
- n1cnc2-c3ccccc3CCc2c1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.421 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.699
- 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 · 24801689