Molecule card · MolClass #37510
24836678
24836678: 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
- 24836678Mitochondrial Fusion · compound_name
- MolClass ID
- 37510
- InChIKey
- MDUSXQARXGNTKD-UHFFFAOYSA-N
- Canonical SMILES
- OCc1ccc[n+](c1)C(C(=O)c2ccc(Cl)s2)=C(Nc3ccc(cc3)SC(F)F)[S-]
- Standard InChI
- InChI=1S/C20H15ClF2N2O2S3/c21-16-8-7-15(30-16)18(27)17(25-9-1-2-12(10-25)11-26)19(28)24-13-3-5-14(6-4-13)29-20(22)23/h1-10,20,26H,11H2,(H-,24,27,28)
- Stored Murcko scaffold
- s1cccc1[CH]C(=CNc2ccccc2)[n+]3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 484.994 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.429
- 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 · 24836678