Molecule card · MolClass #46617
24781986
24781986: 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
- 24781986Mitochondrial Fusion · compound_name
- MolClass ID
- 46617
- InChIKey
- LUDRVQYVYLUTJG-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CCNC(=O)N2CCCC(CNS(=O)(=O)Cc1ccccc1)C2
- Standard InChI
- InChI=1S/C19H29N3O5S/c1-2-27-18(23)10-11-20-19(24)22-12-6-9-17(14-22)13-21-28(25,26)15-16-7-4-3-5-8-16/h3-5,7-8,17,21H,2,6,9-15H2,1H3,(H,20,24)
- Stored Murcko scaffold
- [N]1CCCC(C1)CNSCc2ccccc2
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 12
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 411.517 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.167
- 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 · 24781986