Molecule card · MolClass #47028
24809932
24809932: 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
- 24809932Mitochondrial Fusion · compound_name
- MolClass ID
- 47028
- InChIKey
- FNNWAQYAEWAHFA-MDZDMXLPSA-N
- Canonical SMILES
- COC(=O)C2C(=O)C(C(=O)C=Cc1ccccc1)C(=O)CC2(C)(C)
- Standard InChI
- InChI=1S/C19H20O5/c1-19(2)11-14(21)15(17(22)16(19)18(23)24-3)13(20)10-9-12-7-5-4-6-8-12/h4-10,15-16H,11H2,1-3H3/b10-9+
- Stored Murcko scaffold
- c1ccc(cc1)C=C[CH]C2[CH]CCC[CH]2
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
- 5
- 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
- 77.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.646
- 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 · 24809932