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Name | CHEMBL3098250 |
---|---|
Molecular formula | C24H29F3N6O4S |
IUPAC name | (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-fluoro-3-hydroxypropoxy)cyclopentane-1,2-diol |
Molecular weight | 554.589 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 4 |
XlogP | 2.4 |
Synonyms | BDBM50445013 |
Inchi Key | HHSABBPRSZCGQD-HRXYOTLZSA-N |
Inchi ID | InChI=1S/C24H29F3N6O4S/c1-2-5-38-24-29-22(28-16-7-13(16)11-3-4-14(26)15(27)6-11)19-23(30-24)33(32-31-19)17-8-18(21(36)20(17)35)37-10-12(25)9-34/h3-4,6,12-13,16-18,20-21,34-36H,2,5,7-10H2,1H3,(H,28,29,30)/t12?,13-,16+,17+,18-,20-,21+/m0/s1 |
PubChem CID | 71607665 |
ChEMBL | CHEMBL3098250 |
IUPHAR | N/A |
BindingDB | 50445013 |
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 |
---|---|---|---|---|---|
115225 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
115226 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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