Molecule card · MolClass #40195
22402201
22402201: 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
- 22402201Mitochondrial Fusion · compound_name
- MolClass ID
- 40195
- InChIKey
- WRFHUWVYAILZGR-UHFFFAOYSA-N
- Canonical SMILES
- CC2=C(C(=O)NNS(=O)(=O)c1ccccc1)SC(N2(C))=S
- Standard InChI
- InChI=1S/C12H13N3O3S3/c1-8-10(20-12(19)15(8)2)11(16)13-14-21(17,18)9-6-4-3-5-7-9/h3-7,14H,1-2H3,(H,13,16)
- Stored Murcko scaffold
- n1csc(c1)[CH]NNSc2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 144.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.449 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.082
- 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 · 22402201