Molecule card · MolClass #38527
24802534
24802534: 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
- 24802534Mitochondrial Fusion · compound_name
- MolClass ID
- 38527
- InChIKey
- FEWDUKSJGRPQCZ-UHFFFAOYSA-N
- Canonical SMILES
- Cn1nc(nc1Sc3nnnn3(c2ccc(cc2)C(=O)O))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C11H8N8O4S/c1-17-10(12-9(14-17)19(22)23)24-11-13-15-16-18(11)7-4-2-6(3-5-7)8(20)21/h2-5H,1H3,(H,20,21)
- Stored Murcko scaffold
- n1nc(Sc2ncn[nH]2)n(n1)-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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 180.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.299 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.699
- 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 · 24802534