Molecule card · MolClass #41464
22400657
22400657: 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
- 22400657Mitochondrial Fusion · compound_name
- MolClass ID
- 41464
- InChIKey
- CWBMVRXEABXYGU-UHFFFAOYSA-N
- Canonical SMILES
- CCN(C(=O)CN2C=NS(=O)(=O)c1ccccc12)c3ccccc3
- Standard InChI
- InChI=1S/C17H17N3O3S/c1-2-20(14-8-4-3-5-9-14)17(21)12-19-13-18-24(22,23)16-11-7-6-10-15(16)19/h3-11,13H,2,12H2,1H3
- Stored Murcko scaffold
- N=1Sc2ccccc2N(C1)C[CH][N]c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.687
- 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 · 22400657