Molecule card · MolClass #38871
859927
859927: 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
- 859927Mitochondrial Fusion · compound_name
- MolClass ID
- 38871
- InChIKey
- SUCBXPYORYEAPO-RIYZIHGNSA-N
- Canonical SMILES
- CC2(C)(OC(=O)C(C=Nc1ccccc1)=C(O)O2)
- Standard InChI
- InChI=1S/C13H13NO4/c1-13(2)17-11(15)10(12(16)18-13)8-14-9-6-4-3-5-7-9/h3-8,15H,1-2H3/b14-8+
- Stored Murcko scaffold
- N(=CC=1[CH]OCOC1)c2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.247 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.679
- 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 · 859927