Molecule card · MolClass #41884
24796990
24796990: 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
- 24796990Mitochondrial Fusion · compound_name
- MolClass ID
- 41884
- InChIKey
- WULVWVCDFTYVOT-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)c1nc(O)cnc1N(C)C2=S
- Standard InChI
- InChI=1S/C8H8N4O2S/c1-11-6-5(10-4(13)3-9-6)7(14)12(2)8(11)15/h3H,1-2H3,(H,10,13)
- Stored Murcko scaffold
- n1cnc2nccnc2c1
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 224.241 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.454
- 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 · 24796990