Molecule card · MolClass #51617
14734155
14734155: 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
- 14734155Mitochondrial Fusion · compound_name
- MolClass ID
- 51617
- InChIKey
- BACSRAZDDCGUQS-CMDGGOBGSA-N
- Canonical SMILES
- CCCCCCC(C)=C1C(=O)NC(=S)S1
- Standard InChI
- InChI=1S/C11H17NOS2/c1-3-4-5-6-7-8(2)9-10(13)12-11(14)15-9/h3-7H2,1-2H3,(H,12,13,14)/b9-8+
- Stored Murcko scaffold
- S1[CH][CH]N[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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.929
- 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 · 14734155