小分子和化合物库
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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-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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沙利度胺 4'-醚-烷基C6-胺 盐酸盐CAS号: 2245697-88-3 Compound CID : 134812847分子式: C19H24ClN3O5 分子量: 409.86IUPAC Name: 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochlorideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCN.ClInChIKey: HYHUBACBCPALHK-UHFFFAOYSA-NInChI: 1S/C19H23N3O5.ClH/c20-10-3-1-2-4-11-27-14-7-5-6-12-16(14)19(26)22(18(12)25)13-8-9-15(23)21-17(13)24;/h5-7,13H,1-4,8-11,20H2,(H,21,23,24);1H
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沙利度胺4'-醚-烷基C4-胺盐酸盐CAS号: 2376990-29-1 Compound CID : 145874881分子式: C17H20ClN3O5 分子量: 381.81IUPAC Name: 4-(4-aminobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochlorideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCN.ClInChIKey: VRXZGWPQXJYEPH-UHFFFAOYSA-NInChI: 1S/C17H19N3O5.ClH/c18-8-1-2-9-25-12-5-3-4-10-14(12)17(24)20(16(10)23)11-6-7-13(21)19-15(11)22;/h3-5,11H,1-2,6-9,18H2,(H,19,21,22);1H
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沙利度胺4'-醚-烷基C8-酸CAS号: 2225148-51-4 Compound CID : 139433330分子式: C22H26N2O7 分子量: 430.46IUPAC Name: 9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoic acidSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCCCC(=O)OInChIKey: JDVPWEYIVOQCDX-UHFFFAOYSA-NInChI: 1S/C22H26N2O7/c25-17-12-11-15(20(28)23-17)24-21(29)14-8-7-9-16(19(14)22(24)30)31-13-6-4-2-1-3-5-10-18(26)27/h7-9,15H,1-6,10-13H2,(H,26,27)(H,23,25,28)
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沙利度胺 4'-醚-烷基C6-酸CAS号: 2169266-69-5 Compound CID : 132211974分子式: C20H22N2O7 分子量: 402.4IUPAC Name: 7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoic acidSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCC(=O)OInChIKey: BATNDOUDCIVVSL-UHFFFAOYSA-NInChI: 1S/C20H22N2O7/c23-15-10-9-13(18(26)21-15)22-19(27)12-6-5-7-14(17(12)20(22)28)29-11-4-2-1-3-8-16(24)25/h5-7,13H,1-4,8-11H2,(H,24,25)(H,21,23,26)
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沙利度胺 4'-醚-烷基C5-酸CAS号: 2087490-48-8 Compound CID : 132212109分子式: C19H20N2O7 分子量: 388.38IUPAC Name: 6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexanoic acidSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCC(=O)OInChIKey: PBZGPWVWKSADLD-UHFFFAOYSA-NInChI: 1S/C19H20N2O7/c22-14-9-8-12(17(25)20-14)21-18(26)11-5-4-6-13(16(11)19(21)27)28-10-3-1-2-7-15(23)24/h4-6,12H,1-3,7-10H2,(H,23,24)(H,20,22,25)
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沙利度胺 4'-醚-烷基C3-酸CAS号: 2169266-64-0 Compound CID : 132212112分子式: C17H16N2O7 分子量: 360.32IUPAC Name: 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanoic acidSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCC(=O)OInChIKey: CQVOUORLTYFMHW-UHFFFAOYSA-NInChI: 1S/C17H16N2O7/c20-12-7-6-10(15(23)18-12)19-16(24)9-3-1-4-11(14(9)17(19)25)26-8-2-5-13(21)22/h1,3-4,10H,2,5-8H2,(H,21,22)(H,18,20,23)
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沙利度胺-O-C2-酸CAS号: 2369068-42-6 Compound CID : 139370805分子式: C16H14N2O7 分子量: 346.3IUPAC Name: 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypropanoic acidSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCC(=O)OInChIKey: JDORXWYUBMQFIZ-UHFFFAOYSA-NInChI: 1S/C16H14N2O7/c19-11-5-4-9(14(22)17-11)18-15(23)8-2-1-3-10(13(8)16(18)24)25-7-6-12(20)21/h1-3,9H,4-7H2,(H,20,21)(H,17,19,22)
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