Molecule card · MolClass #46062
14729453
14729453: 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
- 14729453Mitochondrial Fusion · compound_name
- MolClass ID
- 46062
- InChIKey
- BEFSAELAHXDBAT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nnsc1C(=O)NNS(=O)(=O)c2ccccc2
- Standard InChI
- InChI=1S/C10H10N4O3S2/c1-7-9(18-13-11-7)10(15)12-14-19(16,17)8-5-3-2-4-6-8/h2-6,14H,1H3,(H,12,15)
- Stored Murcko scaffold
- n1ncc(s1)[CH]NNSc2ccccc2
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.
- 14733244#47896
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 137.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.414
- 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 · 14729453