Molecule card · MolClass #45410
17386475
17386475: 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
- 17386475Mitochondrial Fusion · compound_name
- MolClass ID
- 45410
- InChIKey
- HFNQJMCCQNSADR-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C1C(=O)NC(N1S(=O)(=O)c2c(C)c(C)cc(C)c2(C))=S
- Standard InChI
- InChI=1S/C16H22N2O3S2/c1-8(2)13-15(19)17-16(22)18(13)23(20,21)14-11(5)9(3)7-10(4)12(14)6/h7-8,13H,1-6H3,(H,17,19,22)
- Stored Murcko scaffold
- S(c1ccccc1)N2[CH]N[CH]C2
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
- 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
- 106.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.49 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.29
- 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 · 17386475