Molecule card · MolClass #46068
7976327
7976327: 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
- 7976327Mitochondrial Fusion · compound_name
- MolClass ID
- 46068
- InChIKey
- CXBOUKJYOCTPQB-UHFFFAOYSA-N
- Canonical SMILES
- CCOP(C)(=O)C1(CC1)C(=O)OCc2ccccc2
- Standard InChI
- InChI=1S/C14H19O4P/c1-3-18-19(2,16)14(9-10-14)13(15)17-11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
- Stored Murcko scaffold
- O([CH]C1CC1)Cc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.273 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.987
- 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 · 7976327