Molecule card · MolClass #35905
17514109
17514109: 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
- 17514109Mitochondrial Fusion · compound_name
- MolClass ID
- 35905
- InChIKey
- JZPSMEHMSTZFIL-UHFFFAOYSA-N
- Canonical SMILES
- CCCC=2c3cccn3(CC[N+]=2(CC(=O)c1ccc(C)cc1))
- Standard InChI
- InChI=1S/C19H23N2O/c1-3-5-17-18-6-4-11-20(18)12-13-21(17)14-19(22)16-9-7-15(2)8-10-16/h4,6-11H,3,5,12-14H2,1-2H3/q+1
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C[N+]2=Cc3cccn3CC2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 25.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.4
- 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 · 17514109