Molecule card · MolClass #41182
14741202
14741202: 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
- 14741202Mitochondrial Fusion · compound_name
- MolClass ID
- 41182
- InChIKey
- OQTUYSXZBGZDOI-UHFFFAOYSA-N
- Canonical SMILES
- Oc3c4nc1ccccc1c4(ncn3(Cc2ccco2))
- Standard InChI
- InChI=1S/C15H11N3O2/c19-15-14-13(11-5-1-2-6-12(11)17-14)16-9-18(15)8-10-4-3-7-20-10/h1-7,9,19H,8H2
- Stored Murcko scaffold
- n1cn(cc-2nc3ccccc3c12)Cc4occc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.267 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.32
- 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 · 14741202