Molecule card · MolClass #41019
7966188
7966188: 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
- 7966188Mitochondrial Fusion · compound_name
- MolClass ID
- 41019
- InChIKey
- OEAKWKMUPMLMDO-UHFFFAOYSA-N
- Canonical SMILES
- CCSc1nc(O)c2c(n1)OC(N)=C(C#N)C2(C(C)C)
- Standard InChI
- InChI=1S/C13H16N4O2S/c1-4-20-13-16-11(18)9-8(6(2)3)7(5-14)10(15)19-12(9)17-13/h6,8H,4,15H2,1-3H3,(H,16,17,18)
- Stored Murcko scaffold
- n1cnc2OC=CCc2c1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 130.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.358 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.681
- 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 · 7966188