Structure of molecule 1460

Molecule card · MolClass #1460

Pilocarpine nitrate

Pilocarpine nitrate: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

4 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names
Pilocarpine nitrateFlucanozole Synergizer · compound_name
657349P.falciparum Sensitivity · compound_name
103177090Liver Toxcicity · compound_name
855878Antifungal Pump Inhibitors · compound_name
MolClass ID
1460
InChIKey
QCHFTSOMWOSFHM-WPRPVWTQSA-N
Canonical SMILES
CCC1C(COC1(=O))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/t8-,10-/m0/s1
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.

  • Flucanozole Synergizer

    Dataset #3 · Pilocarpine nitrate

  • P.falciparum Sensitivity

    Dataset #8 · 657349

  • Liver Toxcicity

    Dataset #17 · 103177090

  • Antifungal Pump Inhibitors

    Dataset #18 · 855878