Molecule card · MolClass #36757
24819959
24819959: 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
- 24819959Mitochondrial Fusion · compound_name
- MolClass ID
- 36757
- InChIKey
- IXARQTKQDGNWTE-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nnc2cc(O)n(nc12)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C11H8ClN5O/c12-6-1-3-7(4-2-6)17-9(18)5-8-10(16-17)11(13)15-14-8/h1-5,18H,(H2,13,15)
- 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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.667 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.27
- 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 · 24819959