Molecule card · MolClass #50876
17415411
17415411: 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
- 17415411Mitochondrial Fusion · compound_name
- MolClass ID
- 50876
- InChIKey
- MGXOUYOJQZHNNW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(COc1ccc(cc1)Cl)NCCSCc2cccc(c2)Cl
- Standard InChI
- InChI=1S/C17H17Cl2NO2S/c18-14-4-6-16(7-5-14)22-11-17(21)20-8-9-23-12-13-2-1-3-15(19)10-13/h1-7,10H,8-9,11-12H2,(H,20,21)
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]NCCSCc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.834
- 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 · 17415411