Molecule card · MolClass #41532
24810763
24810763: 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
- 24810763Mitochondrial Fusion · compound_name
- MolClass ID
- 41532
- InChIKey
- CHJPQWSSICELNA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(C[N+]1(CCCCC1)CC#Cc2ccccc2)c3ccccc3
- Standard InChI
- InChI=1S/C22H24NO/c24-22(21-14-6-2-7-15-21)19-23(16-8-3-9-17-23)18-10-13-20-11-4-1-5-12-20/h1-2,4-7,11-12,14-15H,3,8-9,16-19H2/q+1
- Stored Murcko scaffold
- C(#CC[N+]1(C[CH]c2ccccc2)CCCCC1)c3ccccc3
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.
- 24810697#28924
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 17.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.433 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.467
- 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 · 24810763