Molecule card · MolClass #37259
14727459
14727459: 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
- 14727459Mitochondrial Fusion · compound_name
- MolClass ID
- 37259
- InChIKey
- JGNDUWAOYZTXLC-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)NC2=NN(C(C)=O)C(C)(c1ccc(Cl)s1)S2
- Standard InChI
- InChI=1S/C11H12ClN3O2S2/c1-6(16)13-10-14-15(7(2)17)11(3,19-10)8-4-5-9(12)18-8/h4-5H,1-3H3,(H,13,14,16)
- Stored Murcko scaffold
- N=1[N]C(SC1)c2sccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.817 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.148
- 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 · 14727459