Molecule card · MolClass #46448
17512956
17512956: 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
- 17512956Mitochondrial Fusion · compound_name
- MolClass ID
- 46448
- InChIKey
- QLIRUCINFZPASQ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)NC(NC1(C)(CCS(=O)(=O)C1))=S
- Standard InChI
- InChI=1S/C9H18N2O2S2/c1-7(2)10-8(14)11-9(3)4-5-15(12,13)6-9/h7H,4-6H2,1-3H3,(H2,10,11,14)
- Stored Murcko scaffold
- S1CCCC1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 250.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.36
- 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 · 17512956