Molecule card · MolClass #49523
24796178
24796178: 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
- 24796178Mitochondrial Fusion · compound_name
- MolClass ID
- 49523
- InChIKey
- DXEUTISKCHHBOU-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)c3ccccc3(NC(=O)COc2ccccc2(C))
- Standard InChI
- InChI=1S/C21H26N2O2/c1-16-11-13-23(14-12-16)19-9-5-4-8-18(19)22-21(24)15-25-20-10-6-3-7-17(20)2/h3-10,16H,11-15H2,1-2H3,(H,22,24)
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]Nc2ccccc2N3CCCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.444 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.602
- 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 · 24796178