Molecule card · MolClass #877
LOPAC 00221
LOPAC 00221: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- (+)-Pilocarpine hydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_namePilocarpine nitrateCompound induced Neuronal Stem Cell Differentiation · compound_name
- MolClass ID
- 877
- InChIKey
- QCHFTSOMWOSFHM-UHFFFAOYSA-N
- Canonical SMILES
- [H]C1(COC(=O)C1([H])(CC))(Cc2cncn2(C))
- Standard InChI
- InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3
- Stored Murcko scaffold
- n1c[nH]c(c1)CC2CO[CH]C2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 208.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.077
- 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 · 908
Compound induced Neuronal Stem Cell Differentiation
Dataset #1 · 918