Molecule card · MolClass #50766
17433488
17433488: 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
- 17433488Mitochondrial Fusion · compound_name
- MolClass ID
- 50766
- InChIKey
- POPMMLJGRKTSRD-UHFFFAOYSA-N
- Canonical SMILES
- CN(c1ccccc1)C(=O)c3cccc(COc2ccc(cc2Cl)Cl)c3
- Standard InChI
- InChI=1S/C21H17Cl2NO2/c1-24(18-8-3-2-4-9-18)21(25)16-7-5-6-15(12-16)14-26-20-11-10-17(22)13-19(20)23/h2-13H,14H2,1H3
- Stored Murcko scaffold
- [N]([CH]c1cccc(c1)COc2ccccc2)c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.272 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.004
- 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 · 17433488