Molecule card · MolClass #51346
14746653
14746653: 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
- 14746653Mitochondrial Fusion · compound_name
- MolClass ID
- 51346
- InChIKey
- OUZDASZFJSSHAE-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1(OC))NC(=O)CSc2ccc3OCCOc3(c2)
- Standard InChI
- InChI=1S/C18H19NO5S/c1-21-14-5-3-12(9-16(14)22-2)19-18(20)11-25-13-4-6-15-17(10-13)24-8-7-23-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20)
- Stored Murcko scaffold
- O1c2ccc(SC[CH]Nc3ccccc3)cc2OCC1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.414 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.419
- 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 · 14746653