Molecule card · MolClass #43578
17515621
17515621: 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
- 17515621Mitochondrial Fusion · compound_name
- MolClass ID
- 43578
- InChIKey
- RHHNTCYTVQANIZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)NC2C(OCc1ccccc1)OC(CO)C(OC(C)=O)C2(OC(C)=O)
- Standard InChI
- InChI=1S/C19H25NO8/c1-11(22)20-16-18(27-13(3)24)17(26-12(2)23)15(9-21)28-19(16)25-10-14-7-5-4-6-8-14/h4-8,15-19,21H,9-10H2,1-3H3,(H,20,22)
- Stored Murcko scaffold
- O(Cc1ccccc1)C2OCCCC2
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 120.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.505
- 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 · 17515621