Molecule card · MolClass #35723
861320
861320: 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
- 861320Mitochondrial Fusion · compound_name
- MolClass ID
- 35723
- InChIKey
- GARPYAXHSOTQLG-YCRREMRBSA-N
- Canonical SMILES
- Cc2nn(C)cc2(C=Nn1nnnc1(N))
- Standard InChI
- InChI=1S/C7H10N8/c1-5-6(4-14(2)11-5)3-9-15-7(8)10-12-13-15/h3-4H,1-2H3,(H2,8,10,13)/b9-3+
- Stored Murcko scaffold
- n1ncn(n1)N=Cc2cn[nH]c2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 206.208 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.074
- 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 · 861320