pimozide   Click here for help

GtoPdb Ligand ID: 90

Synonyms: haldol decanoate | Orap® | R-6238
Approved drug
pimozide is an approved drug (FDA (1984))
Compound class: Synthetic organic
Comment: Pimozide is a typical antipsychotic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 41.03
Molecular weight 461.23
XLogP 5.61
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
Isomeric SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
InChI Key YVUQSNJEYSNKRX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1984))
IUPAC Name Click here for help
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
International Nonproprietary Names Click here for help
INN number INN
2330 pimozide
Synonyms Click here for help
haldol decanoate | Orap® | R-6238
Database Links Click here for help
BindingDB Ligand 50334150
CAS Registry No. 2062-78-4
ChEBI CHEBI:8212
ChEMBL Ligand CHEMBL1423
DrugBank Ligand DB01100
DrugCentral Ligand 2172
GtoPdb PubChem SID 135650825
PubChem CID 16362
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Wikipedia Pimozide

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Tocris
Pimozide
Cat. No. 0937