Molecule card · MolClass #51352
14747117
14747117: 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
- 14747117Mitochondrial Fusion · compound_name
- MolClass ID
- 51352
- InChIKey
- HYWKBVDVMSFWEO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1noc(C)c1C(=O)OCC(=O)Nc3ccccc3(Oc2ccccc2)
- Standard InChI
- InChI=1S/C20H18N2O5/c1-13-19(14(2)27-22-13)20(24)25-12-18(23)21-16-10-6-7-11-17(16)26-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,23)
- Stored Murcko scaffold
- n1occ(c1)[CH]OC[CH]Nc2ccccc2Oc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.234
- 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 · 14747117