Molecule card · MolClass #50909
17415743
17415743: 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
- 17415743Mitochondrial Fusion · compound_name
- MolClass ID
- 50909
- InChIKey
- LXWSIAGOPABWSX-RGVLZGJSSA-N
- Canonical SMILES
- ON=Cc2c(ccc1ccccc12)OCc3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C18H14ClNO2/c19-15-8-5-13(6-9-15)12-22-18-10-7-14-3-1-2-4-16(14)17(18)11-20-21/h1-11,21H,12H2/b20-11+
- Stored Murcko scaffold
- O(c1ccc2ccccc2c1)Cc3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.763 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.474
- 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 · 17415743