Molecule card · MolClass #38623
17414238
17414238: 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
- 17414238Mitochondrial Fusion · compound_name
- MolClass ID
- 38623
- InChIKey
- DWBXSRGDOOXBEK-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc4c(c1)cccc4(C[n+]3csc2ccccc23)
- Standard InChI
- InChI=1S/C18H14NS/c1-2-9-16-14(6-1)7-5-8-15(16)12-19-13-20-18-11-4-3-10-17(18)19/h1-11,13H,12H2/q+1
- Stored Murcko scaffold
- s1c[n+](c2ccccc12)Cc3cccc4ccccc43
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.377 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.527
- 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 · 17414238