Molecule card · MolClass #48926
24835684
24835684: 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
- 24835684Mitochondrial Fusion · compound_name
- MolClass ID
- 48926
- InChIKey
- LDUZUUCPFHFOCK-UHFFFAOYSA-N
- Canonical SMILES
- CNc3nc(c1ccc(cc1)OC)c(c2ccc(cc2)OC)s3
- Standard InChI
- InChI=1S/C18H18N2O2S/c1-19-18-20-16(12-4-8-14(21-2)9-5-12)17(23-18)13-6-10-15(22-3)11-7-13/h4-11H,1-3H3,(H,19,20)
- Stored Murcko scaffold
- n1csc(-c2ccccc2)c1-c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.414 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.899
- 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 · 24835684