Molecule card · MolClass #38679
24824422
24824422: 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
- 24824422Mitochondrial Fusion · compound_name
- MolClass ID
- 38679
- InChIKey
- MAMWVCXSLGYIGA-LFIBNONCSA-N
- Canonical SMILES
- CN1c3ccsc3(C(CS1(=O)(=O))=NNc2ccc(F)cc2)
- Standard InChI
- InChI=1S/C13H12FN3O2S2/c1-17-12-6-7-20-13(12)11(8-21(17,18)19)16-15-10-4-2-9(14)3-5-10/h2-7,15H,8H2,1H3/b16-11+
- Stored Murcko scaffold
- N(Nc1ccccc1)=C2c3sccc3NSC2
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.016
- 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 · 24824422