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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XL01126
Compound CID : 163358787

SMILES: CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(C[C@H]3CC[C@H](CSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(cc4)c4scnc4C)CC3)CC2)ncc1C

InChIKey: XSOATTNBVDAEAR-QGHWPEOCSA-N

InChI: InChI=1S/C51H67FN10O6S2/c1-31-25-55-49(59-44(31)53-5)57-39-16-15-37(23-41(39)68-6)46(65)61-21-19-60(20-22-61)27-34-7-9-35(10-8-34)29-70-50(3,4)43(58-48(67)51(52)17-18-51)47(66)62-28-38(63)24-40(62)45(64)54-26-33-11-13-36(14-12-33)42-32(2)56-30-69-42/h11-16,23,25,30,34-35,38,40,43,63H,7-10,17-22,24,26-29H2,1-6H3,(H,54,64)(H,58,67)(H2,53,55,57,59)/t34-,35-,38-,40+,43-/m1/s1
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