Molecule card · MolClass #45875
24823774
24823774: 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
- 24823774Mitochondrial Fusion · compound_name
- MolClass ID
- 45875
- InChIKey
- FEYWOMLXNOVYFL-PQMHYQBVSA-N
- Canonical SMILES
- Oc2ccc(C=NNc1cnnc(O)c1Cl)c(O)c2
- Standard InChI
- InChI=1S/C11H9ClN4O3/c12-10-8(5-14-16-11(10)19)15-13-4-6-1-2-7(17)3-9(6)18/h1-5,17-18H,(H2,15,16,19)/b13-4-
- Stored Murcko scaffold
- n1ncc(cc1)NN=Cc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.668 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.391
- 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 · 24823774