Molecule card · MolClass #51852
14725049
14725049: 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
- 14725049Mitochondrial Fusion · compound_name
- MolClass ID
- 51852
- InChIKey
- AGCZLPSWSLXJRK-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c1ccc(cc1)C(=O)c2ccc(c3ccccc23)N(C)C
- Standard InChI
- InChI=1S/C21H22N2O/c1-22(2)16-11-9-15(10-12-16)21(24)19-13-14-20(23(3)4)18-8-6-5-7-17(18)19/h5-14H,1-4H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]c2cccc3ccccc32
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.413 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.26
- 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 · 14725049