Molecule card · MolClass #41542
14725048
14725048: 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
- 14725048Mitochondrial Fusion · compound_name
- MolClass ID
- 41542
- InChIKey
- NRYLOLDDNJKGCK-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1(OC))C2Nc4cccc3cccc(N2)c34
- Standard InChI
- InChI=1S/C20H20N2O2/c1-3-24-17-11-10-14(12-18(17)23-2)20-21-15-8-4-6-13-7-5-9-16(22-20)19(13)15/h4-12,20-22H,3H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)C2Nc3cccc4cccc(N2)c43
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.386 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.305
- 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 · 14725048