Molecule card · MolClass #51566
14736505
14736505: 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
- 14736505Mitochondrial Fusion · compound_name
- MolClass ID
- 51566
- InChIKey
- AVSSJCYKBFPSJZ-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCN(CC1)CC(O)COCCC34(CC2CC(CC(C2)C3)C4)
- Standard InChI
- InChI=1S/C22H38N2O4/c1-2-28-21(26)24-6-4-23(5-7-24)15-20(25)16-27-8-3-22-12-17-9-18(13-22)11-19(10-17)14-22/h17-20,25H,2-16H2,1H3
- Stored Murcko scaffold
- [N]1CCN(CC1)CCCOCCC23CC4CC(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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 394.549 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.902
- 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 · 14736505