Molecule card · MolClass #45674
859422
859422: 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
- 859422Mitochondrial Fusion · compound_name
- MolClass ID
- 45674
- InChIKey
- GJQPNMSIKFOZTA-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)n3nnc2c(ncnc23)N4CCOCC4
- Standard InChI
- InChI=1S/C14H14N6O/c1-2-4-11(5-3-1)20-14-12(17-18-20)13(15-10-16-14)19-6-8-21-9-7-19/h1-5,10H,6-9H2
- Stored Murcko scaffold
- n1nn(c2ncnc(c12)N3CCOCC3)-c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.662
- 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 · 859422