Molecule card · MolClass #39328
16953332
16953332: 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
- 16953332Mitochondrial Fusion · compound_name
- MolClass ID
- 39328
- InChIKey
- UVDKJBHCXWAYPH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc2ncnn2(c(O)c1(CC(=O)O))
- Standard InChI
- InChI=1S/C8H8N4O3/c1-4-5(2-6(13)14)7(15)12-8(11-4)9-3-10-12/h3,15H,2H2,1H3,(H,13,14)
- Stored Murcko scaffold
- n1cnn2cccnc12
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 208.174 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.254
- 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 · 16953332