Molecule card · MolClass #41383
24820726
24820726: 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
- 24820726Mitochondrial Fusion · compound_name
- MolClass ID
- 41383
- InChIKey
- OZYKAPYUXWUNEV-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)C2CC=CCC2(C(=O)NNS(=O)(=O)c1ccccc1)
- Standard InChI
- InChI=1S/C14H16N2O5S/c17-13(11-8-4-5-9-12(11)14(18)19)15-16-22(20,21)10-6-2-1-3-7-10/h1-7,11-12,16H,8-9H2,(H,15,17)(H,18,19)
- Stored Murcko scaffold
- S(NN[CH]C1CC=CCC1)c2ccccc2
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.
- 24820660#42786
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 120.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.371
- 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 · 24820726