Molecule card · MolClass #38330
7969172
7969172: 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
- 7969172Mitochondrial Fusion · compound_name
- MolClass ID
- 38330
- InChIKey
- SWSXIEASMCGDJR-UHFFFAOYSA-N
- Canonical SMILES
- CCCS(=O)(=O)n1nc(cc1(N))c2ccc(cc2)Br
- Standard InChI
- InChI=1S/C12H14BrN3O2S/c1-2-7-19(17,18)16-12(14)8-11(15-16)9-3-5-10(13)6-4-9/h3-6,8H,2,7,14H2,1H3
- Stored Murcko scaffold
- n1[nH]ccc1-c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.229 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.096
- 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 · 7969172