Molecule card · MolClass #45308
24824294
24824294: 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
- 24824294Mitochondrial Fusion · compound_name
- MolClass ID
- 45308
- InChIKey
- JFASHVWCXDLLLJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc4c(C(=O)C(=O)N1CCC2(CC1)(OCCO2))c3ccccc3n4(C)
- Standard InChI
- InChI=1S/C19H22N2O4/c1-13-16(14-5-3-4-6-15(14)20(13)2)17(22)18(23)21-9-7-19(8-10-21)24-11-12-25-19/h3-6H,7-12H2,1-2H3
- Stored Murcko scaffold
- O1CCOC12CCN([CH][CH]c3c[nH]c4ccccc34)CC2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.878
- 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 · 24824294