Molecule card · MolClass #48922
24835827
24835827: 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
- 24835827Mitochondrial Fusion · compound_name
- MolClass ID
- 48922
- InChIKey
- RGYUPWNJJSKIQV-PXLXIMEGSA-N
- Canonical SMILES
- COc3ccc(C=NN(Cc1ccccc1)c2ccccc2)cc3(O)
- Standard InChI
- InChI=1S/C21H20N2O2/c1-25-21-13-12-18(14-20(21)24)15-22-23(19-10-6-3-7-11-19)16-17-8-4-2-5-9-17/h2-15,24H,16H2,1H3/b22-15+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N(c2ccccc2)Cc3ccccc3
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.
- 24836613#48906
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.396 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.697
- 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 · 24835827