Molecule card · MolClass #43532
24827482
24827482: 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
- 24827482Mitochondrial Fusion · compound_name
- MolClass ID
- 43532
- InChIKey
- ZJZCLKSFPMLRDW-UHFFFAOYSA-N
- Canonical SMILES
- CP(=O)(Oc1ccccc1)OC(c2ccccc2)C(F)(F)F
- Standard InChI
- InChI=1S/C15H14F3O3P/c1-22(19,20-13-10-6-3-7-11-13)21-14(15(16,17)18)12-8-4-2-5-9-12/h2-11,14H,1H3
- Stored Murcko scaffold
- O(POCc1ccccc1)c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.239 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.941
- 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 · 24827482