Molecule card · MolClass #41103
14718676
14718676: 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
- 14718676Mitochondrial Fusion · compound_name
- MolClass ID
- 41103
- InChIKey
- WNEMOTCXXWWKHK-UHFFFAOYSA-N
- Canonical SMILES
- CSc2nc(nn2(C(=O)c1ccco1))c3ccccc3
- Standard InChI
- InChI=1S/C14H11N3O2S/c1-20-14-15-12(10-6-3-2-4-7-10)16-17(14)13(18)11-8-5-9-19-11/h2-9H,1H3
- Stored Murcko scaffold
- n1cn(nc1-c2ccccc2)[CH]c3occc3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.935
- 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 · 14718676