Molecule card · MolClass #42220
17411241
17411241: 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
- 17411241Mitochondrial Fusion · compound_name
- MolClass ID
- 42220
- InChIKey
- RWQGXRQYGKHJLJ-RQZCQDPDSA-N
- Canonical SMILES
- Oc3c1ccccc1c(C=Nc2ccc(F)cc2)s3
- Standard InChI
- InChI=1S/C15H10FNOS/c16-10-5-7-11(8-6-10)17-9-14-12-3-1-2-4-13(12)15(18)19-14/h1-9,18H/b17-9+
- Stored Murcko scaffold
- N(=Cc1scc2ccccc12)c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.853
- 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 · 17411241