Molecule card · MolClass #432
LOPAC 00904
LOPAC 00904: 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
- S-(-)-Eticlopride hydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_name
- MolClass ID
- 432
- InChIKey
- RKXSQHTWNMDLJM-UHFFFAOYSA-N
- Canonical SMILES
- [H]C1(CCN(CC)C1)(CNC(=O)c2c(O)c(CC)cc(c2(OC))Cl)
- Standard InChI
- InChI=1S/C17H25ClN2O3/c1-4-12-8-13(18)16(23-3)14(15(12)21)17(22)19-9-11-6-7-20(5-2)10-11/h8,11,21H,4-7,9-10H2,1-3H3,(H,19,22)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NCC2CNCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.846 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.762
- 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 induced Neuronal Stem Cell Differentiation
Dataset #1 · 447