Molecule card · MolClass #35592
853232
853232: 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
- 853232Mitochondrial Fusion · compound_name
- MolClass ID
- 35592
- InChIKey
- DITSYIUNSPMANF-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1nnn(c1(C))c3nn4nnnc4(c2ccccc23)
- Standard InChI
- InChI=1S/C14H12N8O2/c1-3-24-14(23)11-8(2)21(19-15-11)13-10-7-5-4-6-9(10)12-16-18-20-22(12)17-13/h4-7H,3H2,1-2H3
- Stored Murcko scaffold
- n1nc2c3ccccc3c(nn2n1)-n4nncc4
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
- 8
- 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
- 112.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.828
- 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 · 853232