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Name | CHEMBL335310 |
---|---|
Molecular formula | C29H29F3N2O11 |
IUPAC name | (6R,8S,9R,11R,12R,13S,16S,17R)-8-tert-butyl-9,12,17-trihydroxy-16-methyl-6-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione |
Molecular weight | 638.549 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 3 |
XlogP | 1.7 |
Synonyms | N/A |
Inchi Key | JJABSUARQICJFK-JEUIAGQCSA-N |
Inchi ID | InChI=1S/C29H29F3N2O11/c1-10-19(37)42-17-15(36)25-16-13(35)14(23(2,3)4)24(25)18(20(38)44-22(24)45-27(25,21(39)43-16)26(10,17)40)41-9-11-5-7-12(8-6-11)28(33-34-28)29(30,31)32/h5-8,10,13-18,22,35-36,40H,9H2,1-4H3/t10-,13-,14+,15+,16?,17+,18+,22?,24?,25-,26-,27?/m1/s1 |
PubChem CID | 44353072 |
ChEMBL | CHEMBL335310 |
IUPHAR | N/A |
BindingDB | 50118203 |
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 |
---|---|---|---|---|---|
152134 | Platelet-activating factor receptor | Q62035 | Ptafr | Mus musculus (Mouse) | 341 |
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