Molecule card · MolClass #51756
14729888
14729888: 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
- 14729888Mitochondrial Fusion · compound_name
- MolClass ID
- 51756
- InChIKey
- ZHJOVGGRJFTZQE-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1cnc(nc1Sc2ccccc2Cl)SC
- Standard InChI
- InChI=1S/C14H13ClN2O2S2/c1-3-19-13(18)9-8-16-14(20-2)17-12(9)21-11-7-5-4-6-10(11)15/h4-8H,3H2,1-2H3
- Stored Murcko scaffold
- n1cnc(Sc2ccccc2)cc1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.851 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.825
- 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 · 14729888