Molecule card · MolClass #42939
24790426
24790426: 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
- 24790426Mitochondrial Fusion · compound_name
- MolClass ID
- 42939
- InChIKey
- UWCYFIOOYBZRSX-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cccc(CCN(CC(=O)NC(C)(C)C)C(=O)c1csnn1)c2
- Standard InChI
- InChI=1S/C18H24N4O2S/c1-13-6-5-7-14(10-13)8-9-22(11-16(23)19-18(2,3)4)17(24)15-12-25-21-20-15/h5-7,10,12H,8-9,11H2,1-4H3,(H,19,23)
- Stored Murcko scaffold
- n1nc([CH][N]CCc2ccccc2)cs1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.476 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.059
- 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 · 24790426