Molecule card · MolClass #51350
14746782
14746782: 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
- 14746782Mitochondrial Fusion · compound_name
- MolClass ID
- 51350
- InChIKey
- GOEFKLPCCWJMBH-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCCSc1ccccc1)Nc2nc(cs2)c3ccccn3
- Standard InChI
- InChI=1S/C18H17N3OS2/c22-17(10-6-12-23-14-7-2-1-3-8-14)21-18-20-16(13-24-18)15-9-4-5-11-19-15/h1-5,7-9,11,13H,6,10,12H2,(H,20,21,22)
- Stored Murcko scaffold
- n1ccccc1-c2nc(sc2)N[CH]CCCSc3ccccc3
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.48 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.626
- 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 · 14746782