Molecule card · MolClass #49237
24815656
24815656: 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
- 24815656Mitochondrial Fusion · compound_name
- MolClass ID
- 49237
- InChIKey
- HPRLWHJYVIKHNZ-UHFFFAOYSA-N
- Canonical SMILES
- Fc3cccc(c3(CSc1ccc(nn1)c2ccco2))Cl
- Standard InChI
- InChI=1S/C15H10ClFN2OS/c16-11-3-1-4-12(17)10(11)9-21-15-7-6-13(18-19-15)14-5-2-8-20-14/h1-8H,9H2
- Stored Murcko scaffold
- n1nc(ccc1SCc2ccccc2)-c3occc3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.771 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.728
- 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 · 24815656