Molecule card · MolClass #41551
14730091
14730091: 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
- 14730091Mitochondrial Fusion · compound_name
- MolClass ID
- 41551
- InChIKey
- OYBJWUZBIXUFSJ-UHFFFAOYSA-N
- Canonical SMILES
- OCC3=CC(=O)C(O)=C(CN1CCN(CC1)Cc2ccccc2)O3
- Standard InChI
- InChI=1S/C18H22N2O4/c21-13-15-10-16(22)18(23)17(24-15)12-20-8-6-19(7-9-20)11-14-4-2-1-3-5-14/h1-5,10,21,23H,6-9,11-13H2
- Stored Murcko scaffold
- O1C=C[CH]C=C1CN2CCN(Cc3ccccc3)CC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.379 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.984
- 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 · 14730091