小分子
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Ulixertinib (BVD-523)CAS号 : 869886-67-9(DMSO)分子式: C21H22Cl2N4O2 分子量: 433.33SMILES: CC(C)NC1=NC=C(Cl)C(=C1)C2=C[NH]C(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl
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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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FR 180204CAS号 : 865362-74-9分子式: C18H13N7 分子量: 327.34IUPAC Name: 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amineSMILES: C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)NInChIKey: XVECMUKVOMUNLE-UHFFFAOYSA-NInChI: InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
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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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MK-8353 (SCH900353)CAS号 : 1184173-73-6分子式: C37H41N9O3S 分子量: 691.84IUPAC Name: (3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamideSMILES: CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)NC(=O)C4(CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C)SCInChIKey: KPQQGHGDBBJGFA-QNGWXLTQSA-NInChI: InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/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)
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VX-11eCAS号 : 896720-20-0 Compound CID : 11634725分子式: C24H20Cl2FN5O2 分子量: 500.35IUPAC Name: 4-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamideSMILES: CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)ClInChIKey: WUTVMXLIGHTZJC-OAQYLSRUSA-NInChI: InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1