Molecule card · MolClass #48863
17386236
17386236: 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
- 17386236Mitochondrial Fusion · compound_name
- MolClass ID
- 48863
- InChIKey
- UKMUGHCRKTYYPG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)C(C)OC(=O)c3nnc(O)c2ccccc23
- Standard InChI
- InChI=1S/C19H16N2O4/c1-11-7-9-13(10-8-11)17(22)12(2)25-19(24)16-14-5-3-4-6-15(14)18(23)21-20-16/h3-10,12H,1-2H3,(H,21,23)
- Stored Murcko scaffold
- n1nc([CH]OC[CH]c2ccccc2)c3ccccc3c1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.877
- 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 · 17386236