Molecule card · MolClass #45745
14724767
14724767: 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
- 14724767Mitochondrial Fusion · compound_name
- MolClass ID
- 45745
- InChIKey
- LLXRHWMYQMGCDT-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC2=NC(=O)c1ccccc1S2)c3ccc(F)cc3
- Standard InChI
- InChI=1S/C15H9FN2O2S/c16-10-7-5-9(6-8-10)13(19)17-15-18-14(20)11-3-1-2-4-12(11)21-15/h1-8H,(H,17,18,19,20)
- Stored Murcko scaffold
- N=1[CH]c2ccccc2SC1N[CH]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
- 4
- 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
- 83.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.437
- 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 · 14724767