Molecule card · MolClass #39298
14724642
14724642: 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
- 14724642Mitochondrial Fusion · compound_name
- MolClass ID
- 39298
- InChIKey
- YKWTYOSONSVHDE-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C[n+]3c1ccccc1n2CC(O)CSc23
- Standard InChI
- InChI=1S/C14H17N2O3S/c1-2-19-13(18)8-16-12-6-4-3-5-11(12)15-7-10(17)9-20-14(15)16/h3-6,10,17H,2,7-9H2,1H3/q+1
- Stored Murcko scaffold
- S1c2[nH+]c3ccccc3n2CCC1
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
- 3
- 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
- 80.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.188
- 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 · 14724642