Molecule card · MolClass #51388
14745227
14745227: 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
- 14745227Mitochondrial Fusion · compound_name
- MolClass ID
- 51388
- InChIKey
- LGZLXEKMLHPFFB-ZDUSSCGKSA-N
- Canonical SMILES
- COc1ccc(cc1)S(=O)(=O)N3CCCC3(C(=O)NC2=NCCS2)
- Standard InChI
- InChI=1S/C15H19N3O4S2/c1-22-11-4-6-12(7-5-11)24(20,21)18-9-2-3-13(18)14(19)17-15-16-8-10-23-15/h4-7,13H,2-3,8-10H2,1H3,(H,16,17,19)/t13-/m0/s1
- Stored Murcko scaffold
- N1=C(SCC1)N[CH]C2N(Sc3ccccc3)CCC2
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
- 6
- 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
- 121.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.462 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.125
- 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 · 14745227