小分子
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AT9283CAS号 : 896466-04-9(DMSO)分子式: C19H23N7O2 分子量: 381.43SMILES: O=C(NC1CC1)NC2=C[NH]N=C2C3=NC4=CC(=CC=C4[NH]3)CN5CCOCC5
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Alisertib (MLN8237)CAS号 : 1028486-01-2(DMSO)分子式: C27H20ClFN4O4 分子量: 518.92SMILES: COC1=C(C(=CC=C1)F)C2=NCC3=C(N=C(NC4=CC(=C(C=C4)C(O)=O)OC)N=C3)C5=C2C=C(Cl)C=C5
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CYC116CAS号 : 693228-63-6(DMSO)分子式: C18H20N6OS 分子量: 368.46SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
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来那度胺CAS号 : 191732-72-6(DMSO)分子式: C13H13N3O3 分子量: 259.26SMILES: NC1=C2CN(C3CCC(=O)NC3=O)C(=O)C2=CC=C1
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阿瓦多米德(CC-122)CAS号 : 1015474-32-4分子式: C14H14N4O3 分子量: 286.29IUPAC Name: 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dioneSMILES: CC1=NC2=CC=CC(=C2C(=O)N1C3CCC(=O)NC3=O)NInChIKey: RSNPAKAFCAAMBH-UHFFFAOYSA-NInChI: InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)
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伊贝多米德(CC220)CAS号 : 1323403-33-3分子式: C25H27N3O5 分子量: 449.5IUPAC Name: (3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dioneSMILES: C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCOCC5InChIKey: IXZOHGPZAQLIBH-NRFANRHFSA-NInChI: InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1
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Ro 31-8220 甲磺酸盐CAS号 : 138489-18-6 Compound CID : 11628205分子式: C25H23N5O2S·CH4O3S 分子量: 553.65IUPAC Name: methanesulfonic acid;3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioateSMILES: CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N.CS(=O)(=O)OInChIKey: SAWVGDJBSPLRRB-UHFFFAOYSA-NInChI: InChI=1S/C25H23N5O2S.CH4O3S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20;1-5(2,3)4/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32);1H3,(H,2,3,4)
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SirReal 2CAS号 : 709002-46-0 Compound CID : 1096292分子式: C22H20N4OS2 分子量: 420.55IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamideSMILES: CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC=CC4=CC=CC=C43)CInChIKey: MENNDDDTIIZDDN-UHFFFAOYSA-NInChI: InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
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硫肉豆蔻酰CAS号 : 1429749-41-6 Compound CID : 126843233分子式: C34H51N3O3S 分子量: 581.85IUPAC Name: benzyl N-[(2S)-1-anilino-1-oxo-6-(tetradecanethioylamino)hexan-2-yl]carbamateSMILES: CCCCCCCCCCCCCC(=S)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2InChIKey: CJQGLLUJIVNREL-HKBQPEDESA-NInChI: InChI=1S/C34H51N3O3S/c1-2-3-4-5-6-7-8-9-10-11-18-26-32(41)35-27-20-19-25-31(33(38)36-30-23-16-13-17-24-30)37-34(39)40-28-29-21-14-12-15-22-29/h12-17,21-24,31H,2-11,18-20,25-28H2,1H3,(H,35,41)(H,36,38)(H,37,39)/t31-/m0/s1
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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: InChI=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)