Molecule card · MolClass #51497
14740372
14740372: 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
- 14740372Mitochondrial Fusion · compound_name
- MolClass ID
- 51497
- InChIKey
- GHEBEVYFDYKANS-XDJHFCHBSA-N
- Canonical SMILES
- CCc3ccccc3(NC(=O)C(=Cc1ccco1)c2ccccc2)
- Standard InChI
- InChI=1S/C21H19NO2/c1-2-16-9-6-7-13-20(16)22-21(23)19(15-18-12-8-14-24-18)17-10-4-3-5-11-17/h3-15H,2H2,1H3,(H,22,23)/b19-15+
- Stored Murcko scaffold
- o1cccc1C=C([CH]Nc2ccccc2)c3ccccc3
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
- 2
- 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
- 42.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.513
- 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 · 14740372