Molecule card · MolClass #51788
14728069
14728069: 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
- 14728069Mitochondrial Fusion · compound_name
- MolClass ID
- 51788
- InChIKey
- ZEGOCKBWXUWALP-LGMDPLHJSA-N
- Canonical SMILES
- COC(=O)C(=COCCOc1ccc(cc1)Cl)c2ccccc2
- Standard InChI
- InChI=1S/C18H17ClO4/c1-21-18(20)17(14-5-3-2-4-6-14)13-22-11-12-23-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3/b17-13-
- Stored Murcko scaffold
- O(C=Cc1ccccc1)CCOc2ccccc2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.779 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.724
- 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 · 14728069