Molecule card · MolClass #44676
17413772
17413772: 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
- 17413772Mitochondrial Fusion · compound_name
- MolClass ID
- 44676
- InChIKey
- DDKQMPMXVYYPTD-UHFFFAOYSA-N
- Canonical SMILES
- NC2=NC(=O)C(Cc1cc(ccc1Cl)Cl)S2
- Standard InChI
- InChI=1S/C10H8Cl2N2OS/c11-6-1-2-7(12)5(3-6)4-8-9(15)14-10(13)16-8/h1-3,8H,4H2,(H2,13,14,15)
- Stored Murcko scaffold
- N1=CSC([CH]1)Cc2ccccc2
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
- 3
- 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
- 80.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.156 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.522
- 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 · 17413772