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Ligand

NameSMR000016951
Molecular formulaC21H19N3O5
IUPAC nameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
Molecular weight393.399
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.3
SynonymsMLS000094454
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
AC1MMORW
MLS000102810
CHEMBL1456172
[ Show all ]
Inchi KeyAYDRQXWCJIQSOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19N3O5/c1-12-3-5-15(9-13(12)2)24-20(26)16(11-22-21(24)27)19(25)23-14-4-6-17-18(10-14)29-8-7-28-17/h3-6,9-11H,7-8H2,1-2H3,(H,22,27)(H,23,25)
PubChem CID3242073
ChEMBLN/A
IUPHARN/A
BindingDB37332
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
17366Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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