Molecule card · MolClass #51934
14718788
14718788: 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
- 14718788Mitochondrial Fusion · compound_name
- MolClass ID
- 51934
- InChIKey
- DYKKJZHVHFJZBY-XDJHFCHBSA-N
- Canonical SMILES
- O=C2C(CCCc1ccccc12)=Cc4cccc3ccccc34
- Standard InChI
- InChI=1S/C22H18O/c23-22-19(12-6-10-17-8-2-4-14-21(17)22)15-18-11-5-9-16-7-1-3-13-20(16)18/h1-5,7-9,11,13-15H,6,10,12H2/b19-15+
- Stored Murcko scaffold
- c1ccc2c(c1)cccc2C=C3[CH]c4ccccc4CCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 17.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.379 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.751
- 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 · 14718788