Molecule card · MolClass #39965
3716656
3716656: 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
- 3716656Mitochondrial Fusion · compound_name
- MolClass ID
- 39965
- InChIKey
- FDOYTASPLREELF-BENRWUELSA-N
- Canonical SMILES
- CCN2C(=O)C(C)SC2(=NS(=O)(=O)c1ccc(Cl)s1)
- Standard InChI
- InChI=1S/C10H11ClN2O3S3/c1-3-13-9(14)6(2)17-10(13)12-19(15,16)8-5-4-7(11)18-8/h4-6H,3H2,1-2H3/b12-10-
- Stored Murcko scaffold
- N(Sc1sccc1)=C2[N][CH]CS2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.858 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.881
- 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 · 3716656