Molecule card · MolClass #39758
856919
856919: 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
- 856919Mitochondrial Fusion · compound_name
- MolClass ID
- 39758
- InChIKey
- RQMJADRWIKKLPJ-UHFFFAOYSA-N
- Canonical SMILES
- C(Cn1cnnn1)n2cnnn2
- Standard InChI
- InChI=1S/C4H6N8/c1(11-3-5-7-9-11)2-12-4-6-8-10-12/h3-4H,1-2H2
- Stored Murcko scaffold
- n1ncn(n1)CCn2nnnc2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 87.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 166.144 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.21
- 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 · 856919