Molecule card · MolClass #48570
24818287
24818287: 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
- 24818287Mitochondrial Fusion · compound_name
- MolClass ID
- 48570
- InChIKey
- IGMHWXQGJIIXIX-UHFFFAOYSA-N
- Canonical SMILES
- NNC(=O)c1c(ccs1)OCc2ccc(F)cc2
- Standard InChI
- InChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)7-17-10-5-6-18-11(10)12(16)15-14/h1-6H,7,14H2,(H,15,16)
- Stored Murcko scaffold
- O(c1cscc1)Cc2ccccc2
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.
- 24818359#48192
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.293 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.602
- 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 · 24818287