Molecule card · MolClass #51434
14743293
14743293: 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
- 14743293Mitochondrial Fusion · compound_name
- MolClass ID
- 51434
- InChIKey
- MTNHKYDMODWZOI-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C3CSc1nc(O)sc1C3(c2ccc(OC)c(c2)OC)
- Standard InChI
- InChI=1S/C16H17NO5S2/c1-20-10-5-4-8(6-11(10)21-2)12-9(15(18)22-3)7-23-14-13(12)24-16(19)17-14/h4-6,9,12H,7H2,1-3H3,(H,17,19)
- Stored Murcko scaffold
- n1csc2c1SCCC2c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 131.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.42
- 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 · 14743293