Molecule card · MolClass #47774
24820743
24820743: 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
- 24820743Mitochondrial Fusion · compound_name
- MolClass ID
- 47774
- InChIKey
- VISYCDMXPVNZOZ-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nc(nn1C(=O)c2cccs2)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C13H9ClN4OS/c14-9-5-3-8(4-6-9)11-16-13(15)18(17-11)12(19)10-2-1-7-20-10/h1-7H,(H2,15,16,17)
- Stored Murcko scaffold
- n1cn(nc1-c2ccccc2)[CH]c3sccc3
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.
- 24786971#47970
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.756 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.271
- 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 · 24820743