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Name | CGP 71872 |
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Molecular formula | C24H31IN5O7P |
IUPAC name | 3-[(1R)-1-[[(2S)-3-[5-[(4-azido-2-hydroxy-5-iodobenzoyl)amino]pentyl-hydroxyphosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid |
Molecular weight | 659.418 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 6 |
XlogP | 0.8 |
Synonyms | CGP-71872 CHEMBL1909011 BDBM50108997 CGP71872 3-[(1R)-1-[[(2S)-3-[5-[(4-azido-2-hydroxy-5-iodobenzoyl)amino]pentyl-hydroxyphosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid [ Show all ] |
Inchi Key | IHFUJPDKHJTHGQ-QAPCUYQASA-N |
Inchi ID | InChI=1S/C24H31IN5O7P/c1-15(16-6-5-7-17(10-16)24(34)35)28-13-18(31)14-38(36,37)9-4-2-3-8-27-23(33)19-11-20(25)21(29-30-26)12-22(19)32/h5-7,10-12,15,18,28,31-32H,2-4,8-9,13-14H2,1H3,(H,27,33)(H,34,35)(H,36,37)/t15-,18+/m1/s1 |
PubChem CID | 6324595 |
ChEMBL | N/A |
IUPHAR | 1074 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
553952 | Gamma-aminobutyric acid type B receptor subunit 1 | Q9Z0U4 | Gabbr1 | Rattus norvegicus (Rat) | 991 |
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