Molecule card · MolClass #47818
865706
865706: 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
- 865706Mitochondrial Fusion · compound_name
- MolClass ID
- 47818
- InChIKey
- RDFQSSDFTVUAKJ-UHFFFAOYSA-N
- Canonical SMILES
- O=P1(COc2ccccc2(OC1))Nc3ccc(F)cc3
- Standard InChI
- InChI=1S/C14H13FNO3P/c15-11-5-7-12(8-6-11)16-20(17)9-18-13-3-1-2-4-14(13)19-10-20/h1-8H,9-10H2,(H,16,17)
- Stored Murcko scaffold
- O1c2ccccc2OCP(Nc3ccccc3)C1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.231 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.389
- 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 · 865706