Molecule card · MolClass #50251
22400648
22400648: 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
- 22400648Mitochondrial Fusion · compound_name
- MolClass ID
- 50251
- InChIKey
- CGGSTYDVWWUILD-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(Nc1cc(C)c2c(O)cccc2(n1))
- Standard InChI
- InChI=1S/C17H16N2O/c1-11-6-3-4-7-13(11)18-16-10-12(2)17-14(19-16)8-5-9-15(17)20/h3-10,20H,1-2H3,(H,18,19)
- Stored Murcko scaffold
- n1c(ccc2ccccc12)Nc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.322
- 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 · 22400648