Molecule card · MolClass #43904
24823640
24823640: 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
- 24823640Mitochondrial Fusion · compound_name
- MolClass ID
- 43904
- InChIKey
- UMPDKXOAOXPLHZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc3ncnn3(c(O)c2(NS(=O)(=O)c1ccc(F)cc1))
- Standard InChI
- InChI=1S/C12H10FN5O3S/c1-7-10(11(19)18-12(16-7)14-6-15-18)17-22(20,21)9-4-2-8(13)3-5-9/h2-6,17,19H,1H3
- Stored Murcko scaffold
- n1cnn2cc(cnc12)NSc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.602
- 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 · 24823640