Molecule card · MolClass #35577
4243780
4243780: 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
- 4243780Mitochondrial Fusion · compound_name
- MolClass ID
- 35577
- InChIKey
- IJGGWOIMSSVDQE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)[n+]2ncn(C)c2(n1)
- Standard InChI
- InChI=1S/C8H11N4/c1-6-4-7(2)12-8(10-6)11(3)5-9-12/h4-5H,1-3H3/q+1
- Stored Murcko scaffold
- n1ccc[n+]2nc[nH]c12
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.
- 4243167#25510
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 163.2 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.657
- 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 · 4243780