Molecule card · MolClass #51300
17386080
17386080: 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
- 17386080Mitochondrial Fusion · compound_name
- MolClass ID
- 51300
- InChIKey
- DCOWMEBLEIGSFX-UHFFFAOYSA-N
- Canonical SMILES
- CCOc3cccc(CNc1ccc(O)cc1)c3(OCc2ccc(cc2Cl)Cl)
- Standard InChI
- InChI=1S/C22H21Cl2NO3/c1-2-27-21-5-3-4-15(13-25-18-8-10-19(26)11-9-18)22(21)28-14-16-6-7-17(23)12-20(16)24/h3-12,25-26H,2,13-14H2,1H3
- Stored Murcko scaffold
- O(c1ccccc1CNc2ccccc2)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.
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.911
- 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 · 17386080