Molecule card · MolClass #45500
22400837
22400837: 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
- 22400837Mitochondrial Fusion · compound_name
- MolClass ID
- 45500
- InChIKey
- YBJOYWAMFILUAI-UHFFFAOYSA-N
- Canonical SMILES
- CCNC(=O)NS(=O)(=O)c2cnccc2(Nc1cccc(c1)Cl)
- Standard InChI
- InChI=1S/C14H15ClN4O3S/c1-2-17-14(20)19-23(21,22)13-9-16-7-6-12(13)18-11-5-3-4-10(15)8-11/h3-9H,2H2,1H3,(H,16,18)(H2,17,19,20)
- Stored Murcko scaffold
- n1ccc(cc1)Nc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.813 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.26
- 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 · 22400837