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PFI-1,BET溴结构域抑制剂CAS号: 1403764-72-6分子式: C16H17N3O4S 分子量: 347.39IUPAC Name: 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamideSMILES: CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=OInChIKey: TXZPMHLMPKIUGK-UHFFFAOYSA-NInChI: 1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
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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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(+)-JQ1,BET溴结构域抑制剂CAS号: 1268524-70-4分子式: C23H25ClN4O2S 分子量: 456.99IUPAC Name: tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetateSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)CInChIKey: DNVXATUJJDPFDM-KRWDZBQOSA-NInChI: 1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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2-(2,6-二氧代 - 哌啶-3-基)-4-羟基 - 异吲哚-1,3-二酮CAS号: 5054-59-1分子式: C13H10N2O5 分子量: 274.23IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OInChIKey: XMPJICVFSDYOEG-UHFFFAOYSA-NInChI: 1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18)
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Thalidomide-propargyl,PROTAC的“ click”脑神经配体CAS号: 2098487-39-7 Compound CID : 132118478分子式: C16H12N2O5 分子量: 312.28IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-prop-2-ynoxyisoindole-1,3-dioneSMILES: C#CCOC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=OInChIKey: NOGQTNDSZFYNTM-UHFFFAOYSA-NInChI: 1S/C16H12N2O5/c1-2-8-23-11-5-3-4-9-13(11)16(22)18(15(9)21)10-6-7-12(19)17-14(10)20/h1,3-5,10H,6-8H2,(H,17,19,20)
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Thalidomide-O-amido-PEG4-C2-NH2 hydrochlorideCAS号: 2245697-85-0 Compound CID : 134160247分子式: C25H34N4O10.HCl 分子量: 587.02IUPAC Name: N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochlorideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCOCCOCCOCCN.ClInChIKey: YHQOQBFOLKFJJN-UHFFFAOYSA-NInChI: 1S/C25H34N4O10.ClH/c26-6-8-35-10-12-37-14-15-38-13-11-36-9-7-27-21(31)16-39-19-3-1-2-17-22(19)25(34)29(24(17)33)18-4-5-20(30)28-23(18)32;/h1-3,18H,4-16,26H2,(H,27,31)(H,28,30,32);1H
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沙利度胺-O-酰胺-三聚乙二醇-氨基 盐酸盐CAS号: 2245697-84-9 Compound CID : 134160246分子式: C23H30N4O9.HCl 分子量: 542.97IUPAC Name: N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochlorideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCOCCOCCN.ClInChIKey: ORRMBTUTYKQYQU-UHFFFAOYSA-NInChI: 1S/C23H30N4O9.ClH/c24-6-8-33-10-12-35-13-11-34-9-7-25-19(29)14-36-17-3-1-2-15-20(17)23(32)27(22(15)31)16-4-5-18(28)26-21(16)30;/h1-3,16H,4-14,24H2,(H,25,29)(H,26,28,30);1H
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沙利度胺4'-氧乙酰胺-PEG2-胺 盐酸盐CAS号: 2376990-30-4 Compound CID : 145874885分子式: C21H26N4O8.HCl 分子量: 498.92IUPAC Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochlorideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCOCCN.ClInChIKey: CPJQBYYTYFGXKD-UHFFFAOYSA-NInChI: 1S/C21H26N4O8.ClH/c22-6-8-31-10-11-32-9-7-23-17(27)12-33-15-3-1-2-13-18(15)21(30)25(20(13)29)14-4-5-16(26)24-19(14)28;/h1-3,14H,4-12,22H2,(H,23,27)(H,24,26,28);1H
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沙利度胺 4'-氧乙酰胺-烷基C4-叠氮化物CAS号: 2098488-36-7 Compound CID : 131704500分子式: C19H20N6O6 分子量: 428.4IUPAC Name: N-(4-azidobutyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCN=[N+]=[N-]InChIKey: USWFAZSQVLTHHA-UHFFFAOYSA-NInChI: 1S/C19H20N6O6/c20-24-22-9-2-1-8-21-15(27)10-31-13-5-3-4-11-16(13)19(30)25(18(11)29)12-6-7-14(26)23-17(12)28/h3-5,12H,1-2,6-10H2,(H,21,27)(H,23,26,28)
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沙利度胺 4'-氧乙酰胺-烷基C2-胺CAS号: 2341841-02-7 Compound CID : 138991800分子式: C17H18N4O6.HCl 分子量: 410.81IUPAC Name: N-(2-aminoethyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochlorideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCN.ClInChIKey: CVVNNSLQIHNBSU-UHFFFAOYSA-NInChI: 1S/C17H18N4O6.ClH/c18-6-7-19-13(23)8-27-11-3-1-2-9-14(11)17(26)21(16(9)25)10-4-5-12(22)20-15(10)24;/h1-3,10H,4-8,18H2,(H,19,23)(H,20,22,24);1H
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沙利度胺4'-醚-PEG3-胺盐酸盐CAS号: 2387510-82-7 Compound CID : 146018962分子式: C21N27N3O8 . HCl 分子量: 485.92IUPAC Name: 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochlorideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCOCCN.ClInChIKey: NDHMOOQETYCWFG-UHFFFAOYSA-NInChI: 1S/C21H27N3O8.ClH/c22-6-7-29-8-9-30-10-11-31-12-13-32-16-3-1-2-14-18(16)21(28)24(20(14)27)15-4-5-17(25)23-19(15)26;/h1-3,15H,4-13,22H2,(H,23,25,26);1H
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Thalidomide-O-PEG2-propargylCAS号: 2098487-52-4 Compound CID : 131988624分子式: C20H20N2O7 分子量: 400.38IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-prop-2-ynoxyethoxy)ethoxy]isoindole-1,3-dioneSMILES: C#CCOCCOCCOC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=OInChIKey: XJWGDRINRIEEJD-UHFFFAOYSA-NInChI: 1S/C20H20N2O7/c1-2-8-27-9-10-28-11-12-29-15-5-3-4-13-17(15)20(26)22(19(13)25)14-6-7-16(23)21-18(14)24/h1,3-5,14H,6-12H2,(H,21,23,24)
