Molecule card · MolClass #49918
22411571
22411571: 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
- 22411571Mitochondrial Fusion · compound_name
- MolClass ID
- 49918
- InChIKey
- ANLAVYGXYIXQSU-GFUUNDCYSA-N
- Canonical SMILES
- COc3cc(C=NN=C(c1ccccc1)C(=O)c2ccccc2)cc(OC)c3(O)
- Standard InChI
- InChI=1S/C23H20N2O4/c1-28-19-13-16(14-20(29-2)23(19)27)15-24-25-21(17-9-5-3-6-10-17)22(26)18-11-7-4-8-12-18/h3-15,27H,1-2H3/b24-15+,25-21+
- Stored Murcko scaffold
- N(N=C([CH]c1ccccc1)c2ccccc2)=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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.364
- 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 · 22411571