Molecule card · MolClass #38729
24827487
24827487: 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
- 24827487Mitochondrial Fusion · compound_name
- MolClass ID
- 38729
- InChIKey
- YZXQWSDUGGJJRH-UHFFFAOYSA-N
- Canonical SMILES
- OC(c1ccc(Cl)s1)=C(C(=NCCN2CCOCC2)[S-])[n+]3ccccc3
- Standard InChI
- InChI=1S/C18H20ClN3O2S2/c19-15-5-4-14(26-15)17(23)16(22-7-2-1-3-8-22)18(25)20-6-9-21-10-12-24-13-11-21/h1-5,7-8H,6,9-13H2,(H-,20,23,25)
- Stored Murcko scaffold
- N(=CC(=Cc1sccc1)[n+]2ccccc2)CCN3CCOCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.956 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.666
- 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 · 24827487