Molecule card · MolClass #49950
22411050
22411050: 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
- 22411050Mitochondrial Fusion · compound_name
- MolClass ID
- 49950
- InChIKey
- NFTGEHUQQIZWGW-UHFFFAOYSA-N
- Canonical SMILES
- Oc3ccc(N=Nc1ccc(cc1)NS(=O)(=O)c2ccccc2)c4ccccc34
- Standard InChI
- InChI=1S/C22H17N3O3S/c26-22-15-14-21(19-8-4-5-9-20(19)22)24-23-16-10-12-17(13-11-16)25-29(27,28)18-6-2-1-3-7-18/h1-15,25-26H
- Stored Murcko scaffold
- N(=Nc1cccc2ccccc12)c3ccc(cc3)NSc4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 403.456 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.693
- 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 · 22411050