Molecule card · MolClass #46064
851510
851510: 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
- 851510Mitochondrial Fusion · compound_name
- MolClass ID
- 46064
- InChIKey
- BVWSRRSKGKWSCW-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)C2=C(O)C(=O)N(CO)C2(c1ccccc1(F))
- Standard InChI
- InChI=1S/C13H12FNO4/c1-7(17)10-11(8-4-2-3-5-9(8)14)15(6-16)13(19)12(10)18/h2-5,11,16,18H,6H2,1H3
- Stored Murcko scaffold
- [N]1[CH]C=CC1c2ccccc2
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.
- 7973516#45693
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.791
- 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 · 851510