Molecule card · MolClass #42884
24831147
24831147: 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
- 24831147Mitochondrial Fusion · compound_name
- MolClass ID
- 42884
- InChIKey
- YJEQLIANJSUVDJ-SXGWCWSVSA-N
- Canonical SMILES
- CCOC(=O)C=C2N(CC(=O)NCCc1ccc(F)cc1)C(=O)CS2
- Standard InChI
- InChI=1S/C17H19FN2O4S/c1-2-24-17(23)9-16-20(15(22)11-25-16)10-14(21)19-8-7-12-3-5-13(18)6-4-12/h3-6,9H,2,7-8,10-11H2,1H3,(H,19,21)/b16-9-
- Stored Murcko scaffold
- S1[CH]N([CH]C1)C[CH]NCCc2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.409 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.571
- 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 · 24831147