Molecule card · MolClass #47265
24790559
24790559: 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
- 24790559Mitochondrial Fusion · compound_name
- MolClass ID
- 47265
- InChIKey
- XBLIKSYLJSTXJZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)NC(=O)CN(CCc1ccccc1)C(=O)c2csnn2
- Standard InChI
- InChI=1S/C17H22N4O2S/c1-17(2,3)18-15(22)11-21(16(23)14-12-24-20-19-14)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,18,22)
- 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
- 346.449 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.622
- 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 · 24790559