Molecule card · MolClass #48687
14719101
14719101: 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
- 14719101Mitochondrial Fusion · compound_name
- MolClass ID
- 48687
- InChIKey
- GYTCFYIQKPCWCT-ZHACJKMWSA-N
- Canonical SMILES
- COC2(OC)(C(C=Cc1ccc(C)cc1)C(C#N)(C#N)C2(OC)(OC))
- Standard InChI
- InChI=1S/C19H22N2O4/c1-14-6-8-15(9-7-14)10-11-16-17(12-20,13-21)19(24-4,25-5)18(16,22-2)23-3/h6-11,16H,1-5H3/b11-10+
- Stored Murcko scaffold
- c1ccc(cc1)C=CC2CCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.775
- 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 · 14719101