Molecule card · MolClass #43062
24797775
24797775: 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
- 24797775Mitochondrial Fusion · compound_name
- MolClass ID
- 43062
- InChIKey
- XZNYIBDRNJIFES-SSDVNMTOSA-N
- Canonical SMILES
- CC4(C)(Oc2ccc1C=CC(=O)Oc1c2C(C=Nc3ccc(O)cc3)=C4(O))
- Standard InChI
- InChI=1S/C21H17NO5/c1-21(2)20(25)15(11-22-13-5-7-14(23)8-6-13)18-16(27-21)9-3-12-4-10-17(24)26-19(12)18/h3-11,23,25H,1-2H3/b22-11+
- Stored Murcko scaffold
- N(=CC1=CCOc2ccc3C=C[CH]Oc3c21)c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.067
- 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 · 24797775