Molecule card · MolClass #51027
17411577
17411577: 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
- 17411577Mitochondrial Fusion · compound_name
- MolClass ID
- 51027
- InChIKey
- UYQVVTZPGDDAKK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1Cl)n2cc(nn2)C(=O)c3ccc(F)cc3
- Standard InChI
- InChI=1S/C16H11ClFN3O/c1-10-2-7-13(8-14(10)17)21-9-15(19-20-21)16(22)11-3-5-12(18)6-4-11/h2-9H,1H3
- Stored Murcko scaffold
- n1nn(cc1[CH]c2ccccc2)-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.
- 1911998#17827
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.73 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.102
- 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 · 17411577