basic_info |
|
| Product_Name: | PK 44 PHOSPHATE |
| CAS: | 1017682-65-3 |
| EnglishSynonyms: | PK 44 PHOSPHATE |
| pro_mdlNumber: | MFCD19690942 |
| pro_acceptors: | 8 |
| pro_donors: | 2 |
| pro_smile: | c1cc(c(c2c1c(n[nH]2)C[C@H](CC(=O)N3CCn4c(nnc4C(F)(F)F)C3)N)F)F.OP(=O)(O)O |
| InChi: | InChI=1S/C17H16F5N7O.H3O4P/c18-10-2-1-9-11(24-26-15(9)14(10)19)5-8(23)6-13(30)28-3-4-29-12(7-28)25-27-16(29)17(20,21)22;1-5(2,3)4/h1-2,8H,3-7,23H2,(H,24,26);(H3,1,2,3,4)/t8-;/m1./s1 |
| InChiKey: | InChIKey=IRIGBESJZBGJOS-DDWIOCJRSA-N |
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