Molecule card · MolClass #37834
847141
847141: 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
- 847141Mitochondrial Fusion · compound_name
- MolClass ID
- 37834
- InChIKey
- WRIPQWKFOPCBDA-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nc(nn1S(=O)(=O)c2ccccc2)C(=O)N3CCOCC3
- Standard InChI
- InChI=1S/C13H15N5O4S/c14-13-15-11(12(19)17-6-8-22-9-7-17)16-18(13)23(20,21)10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,16)
- Stored Murcko scaffold
- n1cn(nc1[CH]N2CCOCC2)Sc3ccccc3
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.
- 26668668#30947
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.791
- 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 · 847141