Molecule card · MolClass #36663
7966675
7966675: 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
- 7966675Mitochondrial Fusion · compound_name
- MolClass ID
- 36663
- InChIKey
- FQQOVSALWJERHL-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C)n1c(nnc1SCC#N)n2
- Standard InChI
- InChI=1S/C9H9N5S/c1-6-5-7(2)14-8(11-6)12-13-9(14)15-4-3-10/h5H,4H2,1-2H3
- Stored Murcko scaffold
- n1nc2ncccn2c1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 219.268 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.344
- 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 · 7966675