Molecule card · MolClass #2132
DONEPIZIL HYDROCHLORIDE
DONEPIZIL HYDROCHLORIDE: 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
- DONEPIZIL HYDROCHLORIDECompound accumulation in C. elegans · compound_name
- MolClass ID
- 2132
- InChIKey
- ADEBPBSSDYVVLD-UHFFFAOYSA-N
- Canonical SMILES
- COc3cc4CC(CC1CCN(CC1)Cc2ccccc2)C(=O)c4(cc3(OC))
- Standard InChI
- InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)CN2CCC(CC2)CC3[CH]c4ccccc4C3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 379.493 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.666
- 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.
Compound accumulation in C. elegans
Dataset #4 · -4.13273579125333