Molecule card · MolClass #37563
24823358
24823358: 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
- 24823358Mitochondrial Fusion · compound_name
- MolClass ID
- 37563
- InChIKey
- HQLAEQQFSQHTDA-UHFFFAOYSA-N
- Canonical SMILES
- Oc3c4nc1ccc(F)cc1c4(nc2n3(CCS2))
- Standard InChI
- InChI=1S/C12H8FN3OS/c13-6-1-2-8-7(5-6)9-10(14-8)11(17)16-3-4-18-12(16)15-9/h1-2,5,17H,3-4H2
- Stored Murcko scaffold
- n1c2ccccc2c-3nc4SCCn4cc13
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.
- 24823484#36992
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.83
- 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 · 24823358