Molecule card · MolClass #49363
24810632
24810632: 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
- 24810632Mitochondrial Fusion · compound_name
- MolClass ID
- 49363
- InChIKey
- QYHKIFGEJVZNBA-ATVHPVEESA-N
- Canonical SMILES
- COC(=O)C3=C(C)N(C(C)c1ccccc1)C(=O)C3(=Cc2ccco2)
- Standard InChI
- InChI=1S/C20H19NO4/c1-13(15-8-5-4-6-9-15)21-14(2)18(20(23)24-3)17(19(21)22)12-16-10-7-11-25-16/h4-13H,1-3H3/b17-12-
- Stored Murcko scaffold
- o1cccc1C=C2C=CN([CH]2)Cc3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.913
- 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 · 24810632