Molecule card · MolClass #51959
7976305
7976305: 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
- 7976305Mitochondrial Fusion · compound_name
- MolClass ID
- 51959
- InChIKey
- PDICAZYAWFUCRU-VXLYETTFSA-N
- Canonical SMILES
- OC2=C(CCc1ccccc12)C=Nc3ccc4OCOc4(c3)
- Standard InChI
- InChI=1S/C18H15NO3/c20-18-13(6-5-12-3-1-2-4-15(12)18)10-19-14-7-8-16-17(9-14)22-11-21-16/h1-4,7-10,20H,5-6,11H2/b19-10+
- Stored Murcko scaffold
- N(=CC1=Cc2ccccc2CC1)c3ccc4OCOc4c3
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.124
- 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 · 7976305