Molecule card · MolClass #36467
22403470
22403470: 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
- 22403470Mitochondrial Fusion · compound_name
- MolClass ID
- 36467
- InChIKey
- QYWZUJQAUNKMIP-ZLIFDBKOSA-N
- Canonical SMILES
- CCc2ccc3NC(C1CCOC1c3(c2))c4cccs4
- Standard InChI
- InChI=1S/C17H19NOS/c1-2-11-5-6-14-13(10-11)17-12(7-8-19-17)16(18-14)15-4-3-9-20-15/h3-6,9-10,12,16-18H,2,7-8H2,1H3/t12-,16-,17-/m0/s1
- Stored Murcko scaffold
- O1CCC2C1c3ccccc3NC2c4sccc4
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.
- 22412758#36891
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.425
- 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 · 22403470