Molecule card · MolClass #49716
24786369
24786369: 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
- 24786369Mitochondrial Fusion · compound_name
- MolClass ID
- 49716
- InChIKey
- SYOJRQGIROWNMN-VZUCSPMQSA-N
- Canonical SMILES
- Oc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)[N+](=O)[O-])N3CCCCC3
- Standard InChI
- InChI=1S/C20H20N2O4/c23-17-8-6-16(7-9-17)20(24)11-5-15-4-10-18(19(14-15)22(25)26)21-12-2-1-3-13-21/h4-11,14,23H,1-3,12-13H2/b11-5+
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C=Cc2ccc(cc2)N3CCCCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.527
- 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 · 24786369