Molecule card · MolClass #46429
17410830
17410830: 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
- 17410830Mitochondrial Fusion · compound_name
- MolClass ID
- 46429
- InChIKey
- JESSYNCAGSGAON-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Oc1ccc(cc1)c2csnn2
- Standard InChI
- InChI=1S/C10H8N2O2S/c1-7(13)14-9-4-2-8(3-5-9)10-6-15-12-11-10/h2-6H,1H3
- Stored Murcko scaffold
- n1nc(cs1)-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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.249 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.46
- 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 · 17410830