Molecule card · MolClass #40542
24801499
24801499: 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
- 24801499Mitochondrial Fusion · compound_name
- MolClass ID
- 40542
- InChIKey
- XNQKNLQRUWZTKS-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(Nn1cnnc1)c2ccc(F)cc2
- Standard InChI
- InChI=1S/C8H7FN4O2S/c9-7-1-3-8(4-2-7)16(14,15)12-13-5-10-11-6-13/h1-6,12H
- Stored Murcko scaffold
- n1ncn(c1)NSc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.232 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.994
- 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 · 24801499