Molecule card · MolClass #44510
24797443
24797443: 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
- 24797443Mitochondrial Fusion · compound_name
- MolClass ID
- 44510
- InChIKey
- SGHIPAGJNXLRIJ-SDQBBNPISA-N
- Canonical SMILES
- CCOc1cc(c(cc1(OC))C=C2C(=O)N(C)C(N2(CC(=O)OC))=S)Br
- Standard InChI
- InChI=1S/C17H19BrN2O5S/c1-5-25-14-8-11(18)10(7-13(14)23-3)6-12-16(22)19(2)17(26)20(12)9-15(21)24-4/h6-8H,5,9H2,1-4H3/b12-6-
- Stored Murcko scaffold
- [N]1[CH][N]C([CH]1)=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
- 5
- 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
- 100.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 443.313 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.902
- 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 · 24797443