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Ligand

NameCHEMBL87173
Molecular formulaC22H23N3O2
IUPAC name2-[(Z)-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]amino]oxyacetonitrile
Molecular weight361.445
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
Synonyms2-(2-Piperidinoethoxy)-9H-fluorene-9-one O-(cyanomethyl)oxime
Inchi KeyADCVPCDNQCRWBH-GYHWCHFESA-N
Inchi IDInChI=1S/C22H23N3O2/c23-10-14-27-24-22-20-7-3-2-6-18(20)19-9-8-17(16-21(19)22)26-15-13-25-11-4-1-5-12-25/h2-3,6-9,16H,1,4-5,11-15H2/b24-22-
PubChem CID44322539
ChEMBLCHEMBL87173
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
2138Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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