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Name | CHEMBL296960 |
---|---|
Molecular formula | C11H17N5O14P4 |
IUPAC name | N-methyl-9-(3,5,7,9-tetrahydroxy-3,5,7,9-tetraoxo-2,4,6,8,10,13-hexaoxa-3lambda5,5lambda5,7lambda5,9lambda5-tetraphosphabicyclo[10.3.0]pentadecan-14-yl)purin-6-amine |
Molecular weight | 567.173 |
Hydrogen bond acceptor | 18 |
Hydrogen bond donor | 5 |
XlogP | -4.2 |
Synonyms | BDBM50076466 2-(6-Methylamino-purin-9-yl)-5,7,9,11-tetraoxo-tetrahydro-1,4,6,8,10,12-hexaoxa-5lambda*5*,7lambda*5*,9lambda*5*,11lambda*5*-tetraphospha-cyclopentacyclododecene-5,7,9,11-tetraol |
Inchi Key | BOKCRJWEZVNVFV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C11H17N5O14P4/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6-7(26-8)3-25-31(17,18)28-33(21,22)30-34(23,24)29-32(19,20)27-6/h4-8H,2-3H2,1H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,12,13,14) |
PubChem CID | 44289673 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50076466 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
558143 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
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