小分子和化合物库
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ARV-825CAS号: 1818885-28-7分子式: C46H47ClN8O9S 分子量: 923.43IUPAC Name: See moreSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)OCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C8=CC=C(C=C8)Cl)CInChIKey: RWLOGRLTDKDANT-TYIYNAFKSA-NInChI: See more
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阿帕他隆CAS号: 1044870-39-4分子式: C20H22N2O5 分子量: 370.4IUPAC Name: 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-oneSMILES: CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2InChIKey: NETXMUIMUZJUTB-UHFFFAOYSA-NInChI: 1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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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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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)
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2-(2,6-二氧代哌啶-3-基)-5-氟异吲哚啉-1,3-二酮CAS号: 835616-61-0 EC号: 831-704-3分子式: C13H9N2O4F 分子量: 276.22IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)FInChIKey: MPQLCQKBYRSPNA-UHFFFAOYSA-NInChI: 1S/C13H9FN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4H2,(H,15,17,18)
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2-(2,6-dioxo-3-piperidyl)-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]isoindoline-1,3-dioneCAS号: 2140807-23-2 Compound CID : 132001361分子式: C21H27N3O8 分子量: 449.5IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]isoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCOInChIKey: BVSAHSFFVHCRSM-UHFFFAOYSA-NInChI: 1S/C21H27N3O8/c25-7-9-31-11-13-32-12-10-30-8-6-22-15-3-1-2-14-18(15)21(29)24(20(14)28)16-4-5-17(26)23-19(16)27/h1-3,16,22,25H,4-13H2,(H,23,26,27)
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2-(2,6-dioxo-3-piperidyl)-5-piperazin-1-yl-isoindoline-1,3-dione;hydrochlorideCAS号: 2228029-82-9SMILES: Cl.O=C1NC(=O)C(CC1)N2C(=O)C3C(=CC=C(N4CCNCC4)C=3)C2=O
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2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-isoindoline-5-carboxylic acidCAS号: 1216805-11-6 Compound CID : 25195297分子式: C14H10N2O6 分子量: 302.24IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acidSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OInChIKey: YIBCNIAUDQMKRO-UHFFFAOYSA-NInChI: 1S/C14H10N2O6/c17-10-4-3-9(11(18)15-10)16-12(19)7-2-1-6(14(21)22)5-8(7)13(16)20/h1-2,5,9H,3-4H2,(H,21,22)(H,15,17,18)
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2-[[2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-isoindolin-4-yl]amino]acetic acidCAS号: 927670-97-1 Compound CID : 58827328分子式: C15H13N3O6 分子量: 331.28IUPAC Name: 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acidSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCC(=O)OInChIKey: LRGLFYOYKPSPJQ-UHFFFAOYSA-NInChI: 1S/C15H13N3O6/c19-10-5-4-9(13(22)17-10)18-14(23)7-2-1-3-8(12(7)15(18)24)16-6-11(20)21/h1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22)
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3-(5-amino-1-oxo-isoindolin-2-yl)piperidine-2,6-dioneCAS号: 191732-70-4 Compound CID : 9816615分子式: C13H13N3O3 分子量: 259.26IUPAC Name: 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dioneSMILES: C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)NInChIKey: WLUIQUZGNPAKRL-UHFFFAOYSA-NInChI: 1S/C13H13N3O3/c14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6,14H2,(H,15,17,18)
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4-[[2-[2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-isoindolin-4-yl]oxyacetyl]amino]butanoic acidCAS号: 2308035-51-8 Compound CID : 131704499分子式: C19H19N3O8 分子量: 417.37IUPAC Name: 4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butanoic acidSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCC(=O)OInChIKey: RZVLFEVSXBBCIP-UHFFFAOYSA-NInChI: 1S/C19H19N3O8/c23-13-7-6-11(17(27)21-13)22-18(28)10-3-1-4-12(16(10)19(22)29)30-9-14(24)20-8-2-5-15(25)26/h1,3-4,11H,2,5-9H2,(H,20,24)(H,25,26)(H,21,23,27)
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