Molecule card · MolClass #37033
16953439
16953439: 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
- 16953439Mitochondrial Fusion · compound_name
- MolClass ID
- 37033
- InChIKey
- YZLIFDANYWPYPC-GHXNOFRVSA-N
- Canonical SMILES
- CC(=O)C=C1N(C(=O)C(CC(=O)O)S1)c2ccccc2
- Standard InChI
- InChI=1S/C14H13NO4S/c1-9(16)7-12-15(10-5-3-2-4-6-10)14(19)11(20-12)8-13(17)18/h2-7,11H,8H2,1H3,(H,17,18)/b12-7-
- Stored Murcko scaffold
- S1[CH]N([CH]C1)c2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.324 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.864
- 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 · 16953439