Molecule card · MolClass #37829
17508168
17508168: 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
- 17508168Mitochondrial Fusion · compound_name
- MolClass ID
- 37829
- InChIKey
- ZFUUQYOLRPPMIU-UHFFFAOYSA-N
- Canonical SMILES
- Cc4c(CCO)sc[n+]4(CC(=O)OC23(CC1CC(CC(C1)C2)C3))
- Standard InChI
- InChI=1S/C18H26NO3S/c1-12-16(2-3-20)23-11-19(12)10-17(21)22-18-7-13-4-14(8-18)6-15(5-13)9-18/h11,13-15,20H,2-10H2,1H3/q+1
- Stored Murcko scaffold
- O([CH]C[n+]1cscc1)C23CC4CC(CC(C4)C2)C3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.471 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.317
- 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 · 17508168