Molecule card · MolClass #37285
24824495
24824495: 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
- 24824495Mitochondrial Fusion · compound_name
- MolClass ID
- 37285
- InChIKey
- PZQGGPDFJOCTSK-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)n2nc3c(O)nnc3(cc2(O))
- Standard InChI
- InChI=1S/C12H10N4O3/c1-19-8-4-2-7(3-5-8)16-10(17)6-9-11(15-16)12(18)14-13-9/h2-6,17H,1H3,(H,14,18)
- Stored Murcko scaffold
- n1nc-2ccn(nc2c1)-c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.233 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.974
- 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 · 24824495