Molecule card · MolClass #48070
24816128
24816128: 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
- 24816128Mitochondrial Fusion · compound_name
- MolClass ID
- 48070
- InChIKey
- DSZWBORXEWAMTH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)N3CCCOC3(CNC(=O)C(=O)NC2CCCCC2)
- Standard InChI
- InChI=1S/C20H29N3O5S/c1-15-8-10-17(11-9-15)29(26,27)23-12-5-13-28-18(23)14-21-19(24)20(25)22-16-6-3-2-4-7-16/h8-11,16,18H,2-7,12-14H2,1H3,(H,21,24)(H,22,25)
- Stored Murcko scaffold
- O1CCCN(Sc2ccccc2)C1CN[CH][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.
- 24816129#43957
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 423.528 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.189
- 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 · 24816128