basic_info |
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Product_Name: | ERISMODEGIB PHOSPHATE |
CAS: | 1218778-77-8 |
EnglishSynonyms: | LDE225 DIPHOSPHATE ; ERISMODEGIB PHOSPHATE |
pro_mdlNumber: | MFCD23380598 |
pro_acceptors: | 6 |
pro_donors: | 1 |
pro_smile: | Cc1c(cccc1C(=O)Nc2ccc(nc2)N3C[C@H](O[C@H](C3)C)C)c4ccc(cc4)OC(F)(F)F.OP(=O)(O)O.OP(=O)(O)O |
InChi: | InChI=1S/C26H26F3N3O3.2H3O4P/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29;2*1-5(2,3)4/h4-13,16-17H,14-15H2,1-3H3,(H,31,33);2*(H3,1,2,3,4)/t16-,17+;; |
InChiKey: | InChIKey=RWIVSVMMGFFZIJ-VWDRLOGHSA-N |
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