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PROTACs、分子胶和其他降解剂
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(±)-沙利度胺分子式: C13H10N2O4 分子量: 258.23IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=OInChIKey: UEJJHQNACJXSKW-UHFFFAOYSA-NInChI: 1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
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来那度胺CAS号: 191732-72-6 EC号: 691-297-1分子式: C13H13N3O3 分子量: 259.27IUPAC Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dioneSMILES: C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NInChIKey: GOTYRUGSSMKFNF-UHFFFAOYSA-NInChI: 1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)
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Indisulam,分子胶CAS号: 165668-41-7分子式: C14H12ClN3O4S2 分子量: 385.85IUPAC Name: 4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamideSMILES: C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2ClInChIKey: SETFNECMODOHTO-UHFFFAOYSA-NInChI: 1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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TL 13-112,ALK降解剂CAS号: 2229037-19-6 Compound CID : 138108958分子式: C49H60ClN9O10S 分子量: 1002.57IUPAC Name: See moreSMILES: CC1=CC(=C(C=C1C2CCN(CC2)CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C4=O)C5CCC(=O)NC5=O)OC(C)C)NC6=NC=C(C(=N6)NC7=CC=CC=C7S(=O)(=O)C(C)C)ClInChIKey: XIRQUXILNXIWDI-UHFFFAOYSA-NInChI: See more
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TL 12-186,多激酶降解PROTACCAS号: 2250025-88-6 Compound CID : 134812843分子式: C44H51ClN10O9S 分子量: 931.46IUPAC Name: N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamideSMILES: CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC=C(C=C3)N4CCN(CC4)CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=OInChIKey: YNGWQHGVASHCBK-UHFFFAOYSA-NInChI: See more
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THAL SNS 032,Cdk9降解PROTACCAS号: 2139287-33-3 Compound CID : 131801483分子式: C40H52N8O10S2 分子量: 869.02IUPAC Name: See moreSMILES: CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCN(CC3)CC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=OInChIKey: BXDZOYLPNAIDOC-UHFFFAOYSA-NInChI: See more
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TBK1PROTAC®3i,TANK结合激酶1(TBK1)降解剂CAS号: 2052306-13-3 Compound CID : 124108661分子式: C53H74BrN9O9S 分子量: 1093.19IUPAC Name: See moreSMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCCOCCCCOCCCOC4=CC=C(C=C4)NC5=NC=C(C(=N5)NCCCN(C)C(=O)C6CCC6)Br)OInChIKey: QMGHHBHPDDAGGO-IIWOMYBWSA-NInChI: See more
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基于吉非替尼的 PROTAC 3CAS号: 2230821-27-7 Compound CID : 135156947分子式: C47H57ClFN7O8S 分子量: 934.52IUPAC Name: See moreSMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCOCCOCCCCCOC4=C(C=C5C(=C4)C(=NC=N5)NC6=CC(=C(C=C6)F)Cl)OC)OInChIKey: NICKHWYZMNLEPJ-TZSMONEZSA-NInChI: See more
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DD 03-171,BTK降解剂CAS号: 2366132-45-6分子式: C₅₅H₆₂N₁₀O₈ 分子量: 991.16SMILES: CN1C=C(N=C(NC2=CC=C(C=C2)C(=O)N2CCN(CCCCCCNC(=O)CNC3=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=CC=C3)CC2)C1=O)C1=C(C)C(NC(=O)C2=CC=C(C=C2)C(C)(C)C)=CC=C1InChIKey: QBPVFCNYKUENHU-UHFFFAOYSA-N
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BSJ-03-204,Cdk4 / 6降级剂CAS号: 2349356-09-6分子式: C43H48N10O8 分子量: 832.92IUPAC Name: N-[4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamideSMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C8CCCC8)C(=O)CInChIKey: KDMOCOWXLQOXEB-UHFFFAOYSA-NInChI: See more
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BSJ-03-123,Cdk6降解剂CAS号: 2361493-16-3分子式: C47H56N10O11 分子量: 937.02IUPAC Name: See moreSMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)CCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C8CCCC8)C(=O)CInChIKey: LUHCYAOYQIFNRN-UHFFFAOYSA-NInChI: See more
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Br-PEG4-OHCAS号: 85141-94-2分子式: C8H17BrO4 分子量: 257.12IUPAC Name: 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethanolSMILES: C(COCCOCCOCCBr)OInChIKey: CERQCRALBKUCTF-UHFFFAOYSA-NInChI: 1S/C8H17BrO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-8H2
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