Molecule card · MolClass #38525
24828503
24828503: 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
- 24828503Mitochondrial Fusion · compound_name
- MolClass ID
- 38525
- InChIKey
- BQQZIJQIMNHCDO-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)[n+]4cc(c2ccc(F)cc2)n3CCCSc34
- Standard InChI
- InChI=1S/C20H20FN2S/c1-2-15-4-10-18(11-5-15)23-14-19(16-6-8-17(21)9-7-16)22-12-3-13-24-20(22)23/h4-11,14H,2-3,12-13H2,1H3/q+1
- Stored Murcko scaffold
- S1c2n(c(c[n+]2-c3ccccc3)-c4ccccc4)CCC1
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.582
- 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 · 24828503