Molecule card · MolClass #51743
14730325
14730325: 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
- 14730325Mitochondrial Fusion · compound_name
- MolClass ID
- 51743
- InChIKey
- GFQBXMRQGFENBF-UHFFFAOYSA-N
- Canonical SMILES
- O=S(Cc1cc(nc(n1)c2ccccc2)Sc3ccccc3)c4ccccc4
- Standard InChI
- InChI=1S/C23H18N2OS2/c26-28(21-14-8-3-9-15-21)17-19-16-22(27-20-12-6-2-7-13-20)25-23(24-19)18-10-4-1-5-11-18/h1-16H,17H2
- Stored Murcko scaffold
- n1c(Sc2ccccc2)cc(nc1-c3ccccc3)CSc4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.535 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.289
- 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 · 14730325