Molecule card · MolClass #39983
24816496
24816496: 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
- 24816496Mitochondrial Fusion · compound_name
- MolClass ID
- 39983
- InChIKey
- LXWZZSFCZOFYML-UHFFFAOYSA-N
- Canonical SMILES
- CNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c2ccc3OCCOc3(c2)
- Standard InChI
- InChI=1S/C15H19N3O7S/c1-16-14(19)15(20)17-9-13-18(4-5-25-13)26(21,22)10-2-3-11-12(8-10)24-7-6-23-11/h2-3,8,13H,4-7,9H2,1H3,(H,16,19)(H,17,20)
- Stored Murcko scaffold
- O1c2ccc(SN3COCC3)cc2OCC1
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 131.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 385.394 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.082
- 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 · 24816496