Molecule card · MolClass #49650
24790634
24790634: 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
- 24790634Mitochondrial Fusion · compound_name
- MolClass ID
- 49650
- InChIKey
- ZBVOHBSEOKWMAV-UHFFFAOYSA-N
- Canonical SMILES
- CC(NCC(O)COCCC23(CC1CC(CC(C1)C2)C3))c4ccccc4
- Standard InChI
- InChI=1S/C23H35NO2/c1-17(21-5-3-2-4-6-21)24-15-22(25)16-26-8-7-23-12-18-9-19(13-23)11-20(10-18)14-23/h2-6,17-20,22,24-25H,7-16H2,1H3
- Stored Murcko scaffold
- O(CCCNCc1ccccc1)CCC23CC4CC(CC(C4)C2)C3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.53 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.873
- 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 · 24790634