Molecule card · MolClass #44970
24813848
24813848: 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
- 24813848Mitochondrial Fusion · compound_name
- MolClass ID
- 44970
- InChIKey
- WMRICAIDKRWFGU-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CN3C(=O)CC(c1ccccc1)S(=O)(=O)c2ccccc23)NC4CCCC4
- Standard InChI
- InChI=1S/C22H24N2O4S/c25-21(23-17-10-4-5-11-17)15-24-18-12-6-7-13-19(18)29(27,28)20(14-22(24)26)16-8-2-1-3-9-16/h1-3,6-9,12-13,17,20H,4-5,10-11,14-15H2,(H,23,25)
- Stored Murcko scaffold
- S1c2ccccc2N([CH]CC1c3ccccc3)C[CH]NC4CCCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 412.504 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.305
- 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 · 24813848