PROTACs、分子胶和其他降解剂 - 配体家族 - 小分子和化合物库

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A947
Compound CID : 139546336

IUPAC Name: (2S,4R)-1-[(2R)-2-[3-[4-[[4-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

SMILES: Cc1c(scn1)c1ccc(cc1)[C@H](C)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](c1cc(no1)N1CCC(CC1)CN1CCC(CC1)OC1CC(C1)Oc1nccc(c1)N1C2CCC1CN(C2)c1cc(nnc1N)c1ccccc1O)C(C)C)O

InChIKey: QQVCUSPUMMUFTD-NCXNEFEISA-N

InChI: InChI=1S/C61H76N12O7S/c1-36(2)57(61(77)72-34-45(74)26-52(72)60(76)65-37(3)40-9-11-41(12-10-40)58-38(4)64-35-81-58)54-30-55(68-80-54)70-23-16-39(17-24-70)31-69-21-18-46(19-22-69)78-47-27-48(28-47)79-56-25-42(15-20-63-56)73-43-13-14-44(73)33-71(32-43)51-29-50(66-67-59(51)62)49-7-5-6-8-53(49)75/h5-12,15,20,25,29-30,35-37,39,43-48,52,57,74-75H,13-14,16-19,21-24,26-28,31-34H2,1-4H3,(H2,62,67)(H,65,76)/t37-,43?,44?,45+,47?,48?,52-,57+/m0/s1
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AZ14117230
Compound CID : 145925664

IUPAC Name: (2S,4R)-1-[(2S)-2-[5-[3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methylpyridin-2-yl]propanoylamino]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

SMILES: Fc1ccc2c(CCO2)c1CNc1ncc(c2n1cnn2)c1ccc(nc1C)CCC(=O)NCCCCC(=O)N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCc1ccc(cc1)c1c(ncs1)C)C(C)(C)C

InChIKey: CQSOTYMFUWTIIR-HUSBZTEESA-N

InChI: InChI=1S/C50H58FN11O6S/c1-29-35(38-25-55-49(62-27-57-60-46(38)62)54-24-37-36-19-21-68-41(36)17-16-39(37)51)15-13-33(58-29)14-18-42(64)52-20-7-6-8-43(65)59-45(50(3,4)5)48(67)61-26-34(63)22-40(61)47(66)53-23-31-9-11-32(12-10-31)44-30(2)56-28-69-44/h9-13,15-17,25,27-28,34,40,45,63H,6-8,14,18-24,26H2,1-5H3,(H,52,64)(H,53,66)(H,54,55)(H,59,65)/t34-,40+,45-/m1/s1
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