Molecule card · MolClass #36039
14734054
14734054: 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
- 14734054Mitochondrial Fusion · compound_name
- MolClass ID
- 36039
- InChIKey
- VDZNWEWJQUZBDT-UHFFFAOYSA-N
- Canonical SMILES
- C#CCOC(=O)c1ccc(nc1)n2cncn2
- Standard InChI
- InChI=1S/C11H8N4O2/c1-2-5-17-11(16)9-3-4-10(13-6-9)15-8-12-7-14-15/h1,3-4,6-8H,5H2
- Stored Murcko scaffold
- n1cnn(c1)-c2ncccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 228.207 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.986
- 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 · 14734054