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Name | CHEMBL119416 |
---|---|
Molecular formula | C14H14N3O11PS2 |
IUPAC name | 2-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonomethyl)pyridin-2-yl]diazenyl]benzene-1,4-disulfonic acid |
Molecular weight | 495.37 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 5 |
XlogP | -1.5 |
Synonyms | 1-[3-(Phosphonomethyl)-4-formyl-5-hydroxy-6-methyl-2-pyridylazo]-2,5-benzenedisulfonic acid BDBM50102299 2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonomethyl-pyridin-2-ylazo)-benzene-1,4-disulfonic acid |
Inchi Key | BEUAGQZJDAPBKT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C14H14N3O11PS2/c1-7-13(19)9(5-18)10(6-29(20,21)22)14(15-7)17-16-11-4-8(30(23,24)25)2-3-12(11)31(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28) |
PubChem CID | 135544334 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50102299 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
557958 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
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