Molecule card · MolClass #41494
17410299
17410299: 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
- 17410299Mitochondrial Fusion · compound_name
- MolClass ID
- 41494
- InChIKey
- UUWLYRZVWNYECI-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C(=O)OCC3CC(c2ccccc2)N(C)O3
- Standard InChI
- InChI=1S/C19H21NO4/c1-20-18(14-6-4-3-5-7-14)12-17(24-20)13-23-19(21)15-8-10-16(22-2)11-9-15/h3-11,17-18H,12-13H2,1-2H3
- Stored Murcko scaffold
- O([CH]c1ccccc1)CC2ONC(c3ccccc3)C2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.431
- 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 · 17410299