Molecule card · MolClass #36750
24824594
24824594: 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
- 24824594Mitochondrial Fusion · compound_name
- MolClass ID
- 36750
- InChIKey
- YNISPJYJIHXDGM-UHFFFAOYSA-N
- Canonical SMILES
- Oc1cc3nnc(O)c3(nn1c2ccc(cc2)Cl)
- Standard InChI
- InChI=1S/C11H7ClN4O2/c12-6-1-3-7(4-2-6)16-9(17)5-8-10(15-16)11(18)14-13-8/h1-5,17H,(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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.652 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.681
- 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 · 24824594