Molecule card · MolClass #49430
24803318
24803318: 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
- 24803318Mitochondrial Fusion · compound_name
- MolClass ID
- 49430
- InChIKey
- PAJBNEAIPBNKCW-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCCCN2C=3CCCCC=3(C(=N)C=1CCCC=12)
- Standard InChI
- InChI=1S/C20H32N2/c1-2-3-4-5-6-9-15-22-18-13-8-7-11-16(18)20(21)17-12-10-14-19(17)22/h21H,2-15H2,1H3
- Stored Murcko scaffold
- [CH]1C2=C(NC3=C1CCCC3)CCC2
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.
- 4817-2839#24536
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.482 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.788
- 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 · 24803318