Molecule card · MolClass #51162
17402509
17402509: 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
- 17402509Mitochondrial Fusion · compound_name
- MolClass ID
- 51162
- InChIKey
- OPJCKURFCVCIHJ-JWGURIENSA-N
- Canonical SMILES
- CC(=O)C(=CNc1ccc(cc1)Oc2ccccc2)c3ccccc3
- Standard InChI
- InChI=1S/C22H19NO2/c1-17(24)22(18-8-4-2-5-9-18)16-23-19-12-14-21(15-13-19)25-20-10-6-3-7-11-20/h2-16,23H,1H3/b22-16-
- Stored Murcko scaffold
- O(c1ccccc1)c2ccc(cc2)NC=Cc3ccccc3
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
- 38.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.393 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.523
- 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 · 17402509