Molecule card · MolClass #40855
24782724
24782724: 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
- 24782724Mitochondrial Fusion · compound_name
- MolClass ID
- 40855
- InChIKey
- MUQWGZQINSEKMQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCc3ccc(c1ccc(cc1)Cl)n3(NC(=O)c2ccc(O)cc2)
- Standard InChI
- InChI=1S/C20H17ClN2O4/c21-15-5-1-13(2-6-15)18-11-7-16(8-12-19(25)26)23(18)22-20(27)14-3-9-17(24)10-4-14/h1-7,9-11,24H,8,12H2,(H,22,27)(H,25,26)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]Nn2cccc2-c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 384.814 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.55
- 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 · 24782724