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Name | CHEMBL3220046 |
---|---|
Molecular formula | C16H20BrN3O12P2 |
IUPAC name | [(2R,3S,4R,5R)-5-[4-[(3-bromophenyl)methoxyamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate |
Molecular weight | 588.197 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 6 |
XlogP | -2.7 |
Synonyms | N-(3-Bromobenzyloxy)cytidine 5'-diphosphoric acid |
Inchi Key | FGMXILSWRVITJV-NMFUWQPSSA-N |
Inchi ID | InChI=1S/C16H20BrN3O12P2/c17-10-3-1-2-9(6-10)7-29-19-12-4-5-20(16(23)18-12)15-14(22)13(21)11(31-15)8-30-34(27,28)32-33(24,25)26/h1-6,11,13-15,21-22H,7-8H2,(H,27,28)(H,18,19,23)(H2,24,25,26)/t11-,13-,14-,15-/m1/s1 |
PubChem CID | 90666789 |
ChEMBL | CHEMBL3220046 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. 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 |
---|---|---|---|---|---|
77912 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
77910 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
77911 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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