Molecule card · MolClass #48668
17412010
17412010: 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
- 17412010Mitochondrial Fusion · compound_name
- MolClass ID
- 48668
- InChIKey
- FWYZCOZYHQZYKQ-UHFFFAOYSA-N
- Canonical SMILES
- CCS(=O)(=O)c1ccc2OC(CN(c2(c1))S(C)(=O)=O)C(=O)NC3CC3
- Standard InChI
- InChI=1S/C15H20N2O6S2/c1-3-25(21,22)11-6-7-13-12(8-11)17(24(2,19)20)9-14(23-13)15(18)16-10-4-5-10/h6-8,10,14H,3-5,9H2,1-2H3,(H,16,18)
- Stored Murcko scaffold
- O1c2ccccc2NCC1[CH]NC3CC3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.462 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.347
- 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 · 17412010