Molecule card · MolClass #48869
7966696
7966696: 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
- 7966696Mitochondrial Fusion · compound_name
- MolClass ID
- 48869
- InChIKey
- QHRRXITYEUNTHZ-UHFFFAOYSA-N
- Canonical SMILES
- CC2Cn1c(nnc1S2)c3ccccc3(O)
- Standard InChI
- InChI=1S/C11H11N3OS/c1-7-6-14-10(12-13-11(14)16-7)8-4-2-3-5-9(8)15/h2-5,7,15H,6H2,1H3
- Stored Murcko scaffold
- n1nc(-c2ccccc2)n3c1SCC3
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.
- 863701#29266
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 233.291 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.674
- 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 · 7966696