Molecule card · MolClass #47475
24820605
24820605: 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
- 24820605Mitochondrial Fusion · compound_name
- MolClass ID
- 47475
- InChIKey
- CWJGEZGTFRWYIW-UHFFFAOYSA-N
- Canonical SMILES
- CNC(=O)c1ccccc1C2=CN(C)c3ccccc3(C2(=O))
- Standard InChI
- InChI=1S/C18H16N2O2/c1-19-18(22)13-8-4-3-7-12(13)15-11-20(2)16-10-6-5-9-14(16)17(15)21/h3-11H,1-2H3,(H,19,22)
- Stored Murcko scaffold
- c1ccc(cc1)C2=CNc3ccccc3[CH]2
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.
- 865096#45182
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.333 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.356
- 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 · 24820605