Molecule card · MolClass #39288
14723132
14723132: 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
- 14723132Mitochondrial Fusion · compound_name
- MolClass ID
- 39288
- InChIKey
- HEVUCIJOSLTWOG-UHFFFAOYSA-N
- Canonical SMILES
- CCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
- Standard InChI
- InChI=1S/C14H14N2O3S/c1-2-8-15-20(18,19)12-7-6-11-13-9(12)4-3-5-10(13)14(17)16-11/h3-7,15H,2,8H2,1H3,(H,16,17)
- Stored Murcko scaffold
- c1cc2cccc3[nH]cc(c1)c23
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.339 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.867
- 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 · 14723132