Molecule card · MolClass #37408
24801656
24801656: 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
- 24801656Mitochondrial Fusion · compound_name
- MolClass ID
- 37408
- InChIKey
- LUFWANKMKMLTFJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)C1N(CCS1)S(=O)(=O)c2ccc(cc2)N=NN3CCOCC3
- Standard InChI
- InChI=1S/C14H18N4O5S2/c19-14(20)13-18(7-10-24-13)25(21,22)12-3-1-11(2-4-12)15-16-17-5-8-23-9-6-17/h1-4,13H,5-10H2,(H,19,20)
- Stored Murcko scaffold
- N(=NN1CCOCC1)c2ccc(SN3CSCC3)cc2
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
- 9
- 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
- 145.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.449 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.025
- 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 · 24801656