Molecule card · MolClass #51742
14730174
14730174: 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
- 14730174Mitochondrial Fusion · compound_name
- MolClass ID
- 51742
- InChIKey
- YXHPXFQFVVHCME-UHFFFAOYSA-N
- Canonical SMILES
- c1cc(c(cc1c3nnnn3(c2ccc(c(c2)Cl)Cl))Cl)Cl
- Standard InChI
- InChI=1S/C13H6Cl4N4/c14-9-3-1-7(5-11(9)16)13-18-19-20-21(13)8-2-4-10(15)12(17)6-8/h1-6H
- Stored Murcko scaffold
- n1nc(-c2ccccc2)n(n1)-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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.026 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.217
- 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 · 14730174