Molecule card · MolClass #51976
7974890
7974890: 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
- 7974890Mitochondrial Fusion · compound_name
- MolClass ID
- 51976
- InChIKey
- QJUDJMQXBQEPNK-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c1ccc(cc1)OCC(O)Cn3cnc2ccccc23
- Standard InChI
- InChI=1S/C19H22N2O2/c1-14(2)15-7-9-17(10-8-15)23-12-16(22)11-21-13-20-18-5-3-4-6-19(18)21/h3-10,13-14,16,22H,11-12H2,1-2H3
- Stored Murcko scaffold
- n1cn(c2ccccc12)CCCOc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.081
- 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 · 7974890