Molecule card · MolClass #35959
22413144
22413144: 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
- 22413144Mitochondrial Fusion · compound_name
- MolClass ID
- 35959
- InChIKey
- OTXAIUFFXILWBV-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(c(c1)CONc2ncnc3nonc23)Cl
- Standard InChI
- InChI=1S/C11H8ClN5O2/c12-8-4-2-1-3-7(8)5-18-16-10-9-11(14-6-13-10)17-19-15-9/h1-4,6H,5H2,(H,13,14,16,17)
- Stored Murcko scaffold
- n1onc2c1ncnc2NOCc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.667 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.437
- 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 · 22413144