Molecule card · MolClass #51759
14729905
14729905: 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
- 14729905Mitochondrial Fusion · compound_name
- MolClass ID
- 51759
- InChIKey
- GFBNSCPPTRWLFH-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)Nc1c(C)nns1
- Standard InChI
- InChI=1S/C5H7N3O2S/c1-3-4(11-8-7-3)6-5(9)10-2/h1-2H3,(H,6,9)
- Stored Murcko scaffold
- n1nccs1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 173.194 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.378
- 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 · 14729905