Molecule card · MolClass #39666
24808865
24808865: 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
- 24808865Mitochondrial Fusion · compound_name
- MolClass ID
- 39666
- InChIKey
- WXARLYQKBMWWBK-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cccc(C)c3(NC(=O)CS(=O)CC(=O)NCC2OCCc1ccccc12)
- Standard InChI
- InChI=1S/C22H26N2O4S/c1-15-6-5-7-16(2)22(15)24-21(26)14-29(27)13-20(25)23-12-19-18-9-4-3-8-17(18)10-11-28-19/h3-9,19H,10-14H2,1-2H3,(H,23,25)(H,24,26)
- Stored Murcko scaffold
- O1CCc2ccccc2C1CN[CH]CSC[CH]Nc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 414.52 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.012
- 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 · 24808865