Molecule card · MolClass #51353
14746726
14746726: 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
- 14746726Mitochondrial Fusion · compound_name
- MolClass ID
- 51353
- InChIKey
- WNCKJLJNOLSWNI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(COc2c(cc(c1cccnc12)Br)Br)N3CCc4ccccc4(C3)
- Standard InChI
- InChI=1S/C20H16Br2N2O2/c21-16-10-17(22)20(19-15(16)6-3-8-23-19)26-12-18(25)24-9-7-13-4-1-2-5-14(13)11-24/h1-6,8,10H,7,9,11-12H2
- Stored Murcko scaffold
- n1cccc2cccc(OC[CH]N3Cc4ccccc4CC3)c12
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 476.161 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.506
- 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 · 14746726