Molecule card · MolClass #45613
14718960
14718960: 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
- 14718960Mitochondrial Fusion · compound_name
- MolClass ID
- 45613
- InChIKey
- QGZYNLSQTOZXRK-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccc1C=C(C(=O)NCCO)SC(=O)c1c2(OC)
- Standard InChI
- InChI=1S/C14H15NO5S/c1-19-9-4-3-8-7-10(13(17)15-5-6-16)21-14(18)11(8)12(9)20-2/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
- Stored Murcko scaffold
- S1C=Cc2ccccc2[CH]1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.339 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.331
- 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 · 14718960