Molecule card · MolClass #37279
17402577
17402577: 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
- 17402577Mitochondrial Fusion · compound_name
- MolClass ID
- 37279
- InChIKey
- PLZXRYWAZMOZCA-UHFFFAOYSA-N
- Canonical SMILES
- CCN2C(=O)C=3C(=O)C=C(O)OC=3(c1ccccc12)
- Standard InChI
- InChI=1S/C14H11NO4/c1-2-15-9-6-4-3-5-8(9)13-12(14(15)18)10(16)7-11(17)19-13/h3-7,17H,2H2,1H3
- Stored Murcko scaffold
- n1cc2[CH]C=COc2c3ccccc13
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.
- 17403109#38592
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.242 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.794
- 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 · 17402577