Molecule card · MolClass #35887
14732852
14732852: 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
- 14732852Mitochondrial Fusion · compound_name
- MolClass ID
- 35887
- InChIKey
- LGGODBGFGRJNFB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCl)Nc1cccn2ncnc12
- Standard InChI
- InChI=1S/C8H7ClN4O/c9-4-7(14)12-6-2-1-3-13-8(6)10-5-11-13/h1-3,5H,4H2,(H,12,14)
- 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
- 210.621 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.214
- 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 · 14732852