Molecule card · MolClass #36994
22415315
22415315: 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
- 22415315Mitochondrial Fusion · compound_name
- MolClass ID
- 36994
- InChIKey
- DFADTZPTAOULDP-VZUCSPMQSA-N
- Canonical SMILES
- Cc2ccsc2(C=NN1C(=O)C(C)=NNC1=S)
- Standard InChI
- InChI=1S/C10H10N4OS2/c1-6-3-4-17-8(6)5-11-14-9(15)7(2)12-13-10(14)16/h3-5H,1-2H3,(H,13,16)/b11-5+
- Stored Murcko scaffold
- N1=C[CH]N(N=Cc2sccc2)[CH]N1
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.
- 26658476#26509
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.345 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.875
- 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 · 22415315