Molecule card · MolClass #39094
4264443
4264443: 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
- 4264443Mitochondrial Fusion · compound_name
- MolClass ID
- 39094
- InChIKey
- KUQKTSMLGPQNNE-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nncn1C(=O)c2ccccc2Cl
- Standard InChI
- InChI=1S/C9H7ClN4O/c10-7-4-2-1-3-6(7)8(15)14-5-12-13-9(14)11/h1-5H,(H2,11,13)
- Stored Murcko scaffold
- n1ncn(c1)[CH]c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 222.631 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.863
- 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 · 4264443