Molecule card · MolClass #47743
24819298
24819298: 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
- 24819298Mitochondrial Fusion · compound_name
- MolClass ID
- 47743
- InChIKey
- ZEQMPMDPZRPOEP-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)OC(C)c2ccc(C#N)c(O)n2
- Standard InChI
- InChI=1S/C15H14N2O3/c1-10(14-8-3-11(9-16)15(18)17-14)20-13-6-4-12(19-2)5-7-13/h3-8,10H,1-2H3,(H,17,18)
- Stored Murcko scaffold
- n1ccccc1COc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.97
- 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 · 24819298