Molecule card · MolClass #35625
14730151
14730151: 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
- 14730151Mitochondrial Fusion · compound_name
- MolClass ID
- 35625
- InChIKey
- PPLNXHKWUXNGQY-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1cccn2ncnc12)C(Cl)Cl
- Standard InChI
- InChI=1S/C8H6Cl2N4O/c9-6(10)8(15)13-5-2-1-3-14-7(5)11-4-12-14/h1-4,6H,(H,13,15)
- Stored Murcko scaffold
- n1cnn2ccccc12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.066 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.628
- 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 · 14730151