Molecule card · MolClass #43550
14726719
14726719: 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
- 14726719Mitochondrial Fusion · compound_name
- MolClass ID
- 43550
- InChIKey
- ZELNEDXZGBHEEM-UHFFFAOYSA-N
- Canonical SMILES
- COC(CN2C(=O)C(O)=C(C(C)=O)C2(c1ccccn1))OC
- Standard InChI
- InChI=1S/C15H18N2O5/c1-9(18)12-13(10-6-4-5-7-16-10)17(15(20)14(12)19)8-11(21-2)22-3/h4-7,11,13,19H,8H2,1-3H3
- Stored Murcko scaffold
- n1ccccc1C2[N][CH]C=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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.404
- 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 · 14726719