Molecule card · MolClass #37974
14746323
14746323: 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
- 14746323Mitochondrial Fusion · compound_name
- MolClass ID
- 37974
- InChIKey
- AWGSASMHCRGOHV-UHFFFAOYSA-N
- Canonical SMILES
- O=S3(=O)(N=C(Nc1nncs1)c2ccccc23)
- Standard InChI
- InChI=1S/C9H6N4O2S2/c14-17(15)7-4-2-1-3-6(7)8(13-17)11-9-12-10-5-16-9/h1-5H,(H,11,12,13)
- Stored Murcko scaffold
- n1nc(sc1)Nc2nsc3ccccc23
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.
- 4260084#43939
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 120.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.313
- 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 · 14746323