Molecule card · MolClass #37983
24787741
24787741: 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
- 24787741Mitochondrial Fusion · compound_name
- MolClass ID
- 37983
- InChIKey
- WCADGKSZAWQDRA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(nc(n1)S)OC=2C=CC(=O)N(C)N=2
- Standard InChI
- InChI=1S/C10H10N4O2S/c1-6-5-8(12-10(17)11-6)16-7-3-4-9(15)14(2)13-7/h3-5H,1-2H3,(H,11,12,17)
- Stored Murcko scaffold
- n1nc(Oc2ncncc2)ccc1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 250.278 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.221
- 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 · 24787741