Molecule card · MolClass #49765
24783991
24783991: 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
- 24783991Mitochondrial Fusion · compound_name
- MolClass ID
- 49765
- InChIKey
- IDCZJPWZYLBBCY-JMIUGGIZSA-N
- Canonical SMILES
- Cc2ccc(C=[N+]([O-])c1ccc(cc1)N(C)C)c3nsnc23
- Standard InChI
- InChI=1S/C16H16N4OS/c1-11-4-5-12(16-15(11)17-22-18-16)10-20(21)14-8-6-13(7-9-14)19(2)3/h4-10H,1-3H3/b20-10-
- Stored Murcko scaffold
- n1snc2c1cccc2C=[NH+]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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.512
- 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 · 24783991