Molecule card · MolClass #44750
24810044
24810044: 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
- 24810044Mitochondrial Fusion · compound_name
- MolClass ID
- 44750
- InChIKey
- WPOKQAYNGSQLFE-UHFFFAOYSA-N
- Canonical SMILES
- C#CC[N+]1(CCCCC1)CC#Cc2ccccc2
- Standard InChI
- InChI=1S/C17H20N/c1-2-13-18(14-7-4-8-15-18)16-9-12-17-10-5-3-6-11-17/h1,3,5-6,10-11H,4,7-8,13-16H2/q+1
- Stored Murcko scaffold
- C(#CC[NH+]1CCCCC1)c2ccccc2
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.
- 24810003#39910
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 0 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 238.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.374
- 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 · 24810044