Molecule card · MolClass #39320
24788162
24788162: 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
- 24788162Mitochondrial Fusion · compound_name
- MolClass ID
- 39320
- InChIKey
- MXWRPPRLZNSJOD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(O)c(cc1(C(=O)O))C(=O)c2ccccc2(O)
- Standard InChI
- InChI=1S/C14H11NO5/c1-7-9(14(19)20)6-10(13(18)15-7)12(17)8-4-2-3-5-11(8)16/h2-6,16H,1H3,(H,15,18)(H,19,20)
- Stored Murcko scaffold
- n1cccc(c1)[CH]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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.241 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.028
- 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 · 24788162