Molecule card · MolClass #51583
14735762
14735762: 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
- 14735762Mitochondrial Fusion · compound_name
- MolClass ID
- 51583
- InChIKey
- GBYLGUKGHHCSMR-UHFFFAOYSA-N
- Canonical SMILES
- CN(c1ccccc1)C=2C(=O)c4ccccc4(C(=O)C=2N3CCCCC3)
- Standard InChI
- InChI=1S/C22H22N2O2/c1-23(16-10-4-2-5-11-16)19-20(24-14-8-3-9-15-24)22(26)18-13-7-6-12-17(18)21(19)25/h2,4-7,10-13H,3,8-9,14-15H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)Nc2cc3ccccc3cc2N4CCCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.058
- 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 · 14735762