risperidone   Click here for help

GtoPdb Ligand ID: 96

Synonyms: R-64-766 | R-64766 | Risperdal®
Approved drug PDB Ligand
risperidone is an approved drug (FDA (1993))
Compound class: Synthetic organic
Comment: Risperidone is an atypical antipsychotic drug, functioning as a dopamine D2, serotonin 5-HT2 and α2-adrenoceptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 64.16
Molecular weight 410.21
XLogP 3.73
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2
Isomeric SMILES Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2
InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
InChI Key RAPZEAPATHNIPO-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel