Molecule card · MolClass #42489
24819630
24819630: 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
- 24819630Mitochondrial Fusion · compound_name
- MolClass ID
- 42489
- InChIKey
- XPIJVHKDHPOMEO-CMDGGOBGSA-N
- Canonical SMILES
- C=CCSc2nnc(C)c(C=CNc1ccc(cc1)Cl)n2
- Standard InChI
- InChI=1S/C15H15ClN4S/c1-3-10-21-15-18-14(11(2)19-20-15)8-9-17-13-6-4-12(16)5-7-13/h3-9,17H,1,10H2,2H3/b9-8+
- Stored Murcko scaffold
- n1ncc(nc1)C=CNc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.826 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.902
- 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 · 24819630