A 80556

pro_cas
114676-82-3
pro_cdbregno
CCD00179863
pro_formula
C21 H18 F3 N3 O3 . Cl H
pro_molWeight
453.846

basic_info

Product_Name: A 80556
CAS: 114676-82-3
EnglishSynonyms: A 80556
pro_mdlNumber: MFCD00913368
pro_acceptors: 6
pro_donors: 2
pro_smile: C[C@H]1C[C@@H](CN1c2cc3c(cc2F)c(=O)c(cn3c4ccc(cc4F)F)C(=O)O)N.Cl
InChi: InChI=1S/C21H18F3N3O3.ClH/c1-10-4-12(25)8-26(10)19-7-18-13(6-16(19)24)20(28)14(21(29)30)9-27(18)17-3-2-11(22)5-15(17)23;/h2-3,5-7,9-10,12H,4,8,25H2,1H3,(H,29,30);1H/t10-,12-;/m0./s1
InChiKey: InChIKey=CDDGYQYMKFYFSM-JGAZGGJJSA-N

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