Molecule card · MolClass #35656
849796
849796: 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
- 849796Mitochondrial Fusion · compound_name
- MolClass ID
- 35656
- InChIKey
- QLEYPMCFFYZJMP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)nc(n1)Sc2ccc3nnnn3(n2)
- Standard InChI
- InChI=1S/C10H9N7S/c1-6-5-7(2)12-10(11-6)18-9-4-3-8-13-15-16-17(8)14-9/h3-5H,1-2H3
- Stored Murcko scaffold
- n1nc2ccc(nn2n1)Sc3ncccn3
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.
- 24782218#25901
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.292 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.432
- 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 · 849796