Molecule card · MolClass #49243
24816168
24816168: 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
- 24816168Mitochondrial Fusion · compound_name
- MolClass ID
- 49243
- InChIKey
- FLYHLXQMCFIHLI-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccccc1C2c4cccn4(CCN2C(Nc3ccc(cc3)Br)=S)
- Standard InChI
- InChI=1S/C20H17BrFN3S/c21-14-7-9-15(10-8-14)23-20(26)25-13-12-24-11-3-6-18(24)19(25)16-4-1-2-5-17(16)22/h1-11,19H,12-13H2,(H,23,26)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]N2CCn3cccc3C2c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 430.338 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.683
- 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 · 24816168