Molecule card · MolClass #46371
850847
850847: 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
- 850847Mitochondrial Fusion · compound_name
- MolClass ID
- 46371
- InChIKey
- MYXRUFRVJSTKTM-LUAWRHEFSA-N
- Canonical SMILES
- CCN=C1N(CC)C(=O)CC(C(N)=O)S1
- Standard InChI
- InChI=1S/C9H15N3O2S/c1-3-11-9-12(4-2)7(13)5-6(15-9)8(10)14/h6H,3-5H2,1-2H3,(H2,10,14)/b11-9-
- Stored Murcko scaffold
- [N]1[CH]SCC[CH]1
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.
- 848382#33247
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 229.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.829
- 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 · 850847