Molecule card · MolClass #50568
17508772
17508772: 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
- 17508772Mitochondrial Fusion · compound_name
- MolClass ID
- 50568
- InChIKey
- GGJOUERPEMZCOT-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C20H22ClNOS/c1-15-10-12-22(13-11-15)20(23)17-4-2-16(3-5-17)14-24-19-8-6-18(21)7-9-19/h2-9,15H,10-14H2,1H3
- Stored Murcko scaffold
- S(c1ccccc1)Cc2ccc(cc2)[CH]N3CCCCC3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.915 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.75
- 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 · 17508772