Molecule card · MolClass #35702
22410336
22410336: 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
- 22410336Mitochondrial Fusion · compound_name
- MolClass ID
- 35702
- InChIKey
- GYEAWEXUZSBOFM-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C1=CC(CC(C)(C)C1)=[N+]2CCCC2
- Standard InChI
- InChI=1S/C16H29N2/c1-5-17(6-2)14-11-15(13-16(3,4)12-14)18-9-7-8-10-18/h11H,5-10,12-13H2,1-4H3/q+1
- Stored Murcko scaffold
- C1=CCCCC1=[N+]2CCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 6.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.415 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.424
- 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 · 22410336