Molecule card · MolClass #46061
24796844
24796844: 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
- 24796844Mitochondrial Fusion · compound_name
- MolClass ID
- 46061
- InChIKey
- YUQXORIUVSFWNI-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c2c(C)nc(NC(=O)c1cccnc1Cl)s2
- Standard InChI
- InChI=1S/C12H10ClN3O2S/c1-6-9(7(2)17)19-12(15-6)16-11(18)8-4-3-5-14-10(8)13/h3-5H,1-2H3,(H,15,16,18)
- Stored Murcko scaffold
- n1cccc(c1)[CH]Nc2nccs2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.746 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.076
- 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 · 24796844