Molecule card · MolClass #43522
14734992
14734992: 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
- 14734992Mitochondrial Fusion · compound_name
- MolClass ID
- 43522
- InChIKey
- NTBLKUKQLAUQNZ-UHFFFAOYSA-N
- Canonical SMILES
- CSc2nc(nn2(C(=O)CCc1ccccc1))c3ccco3
- Standard InChI
- InChI=1S/C16H15N3O2S/c1-22-16-17-15(13-8-5-11-21-13)18-19(16)14(20)10-9-12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3
- Stored Murcko scaffold
- n1cn(nc1-c2occc2)[CH]CCc3ccccc3
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.
- 4254649#40087
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.916
- 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 · 14734992