Molecule card · MolClass #51214
17402379
17402379: 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
- 17402379Mitochondrial Fusion · compound_name
- MolClass ID
- 51214
- InChIKey
- WZILZTCCYHZUAX-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccc(cc1)Cl)N2CCC(O)(CC2)CSc3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C19H19Cl2NO2S/c20-15-3-1-14(2-4-15)18(23)22-11-9-19(24,10-12-22)13-25-17-7-5-16(21)6-8-17/h1-8,24H,9-13H2
- Stored Murcko scaffold
- S(c1ccccc1)CC2CCN([CH]c3ccccc3)CC2
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.
- 17402152#51213
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 396.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.13
- 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 · 17402379