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Barasertib (AZD1152-HQPA),Aurora B激酶抑制剂CAS号 : 722544-51-6 Compound CID : 16007391分子式: C26H30FN7O3 分子量: 507.56IUPAC Name: 2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamideSMILES: CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCOInChIKey: QYZOGCMHVIGURT-UHFFFAOYSA-NInChI: InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)
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4-(二甲氨基)-N-[7-(羟基氨基)-7-氧庚]苯甲酰胺CAS号 : 251456-60-7 Compound CID : 3994分子式: C16H25N3O3 分子量: 307.39IUPAC Name: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamideSMILES: CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NOInChIKey: MXWDSZWTBOCWBK-UHFFFAOYSA-NInChI: InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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MLN8054CAS号 : 869363-13-3 Compound CID : 11712649分子式: C25H15ClF2N4O2 分子量: 476.86IUPAC Name: 4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acidSMILES: C1C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=C(C=CC=C4F)F)NC5=CC=C(C=C5)C(=O)OInChIKey: HHFBDROWDBDFBR-UHFFFAOYSA-NInChI: InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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米托蒽醌二盐酸盐CAS号 : 70476-82-3 Compound CID : 51082分子式: C22H28N4O6·2HCl 分子量: 517.4IUPAC Name: 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;dihydrochlorideSMILES: C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO.Cl.ClInChIKey: ZAHQPTJLOCWVPG-UHFFFAOYSA-NInChI: InChI=1S/C22H28N4O6.2ClH/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32;;/h1-4,23-30H,5-12H2;2*1H
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OAC1,Oct4激活剂CAS号 : 300586-90-7 Compound CID : 789882分子式: C14H11N3O 分子量: 237.26IUPAC Name: N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamideSMILES: C1=CC=C(C=C1)C(=O)NC2=NC=C3C(=C2)C=CN3InChIKey: HWJRIFZDXJKJJN-UHFFFAOYSA-NInChI: InChI=1S/C14H11N3O/c18-14(10-4-2-1-3-5-10)17-13-8-11-6-7-15-12(11)9-16-13/h1-9,15H,(H,16,17,18)
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苯乙双胍盐酸盐分子式: C10H15N5 · HCl 分子量: 241.72IUPAC Name: 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochlorideSMILES: C1=CC=C(C=C1)CCN=C(N)N=C(N)N.ClInChIKey: YSUCWSWKRIOILX-UHFFFAOYSA-NInChI: InChI=1S/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H
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黄藤素分子式: C21H22NO4+ 分子量: 352.4IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-iumSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OCInChIKey: QUCQEUCGKKTEBI-UHFFFAOYSA-NInChI: InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
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黄藤素分子式: C21H22NO4+ 分子量: 352.4IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-iumSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OCInChIKey: QUCQEUCGKKTEBI-UHFFFAOYSA-NInChI: InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
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PCI-24781(Abexinostat),广谱组蛋白去酰基化酶（HDAC）抑制剂CAS号 : 783355-60-2 Compound CID : 11749858分子式: C21H23N3O5 分子量: 397.42IUPAC Name: 3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamideSMILES: CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NOInChIKey: MAUCONCHVWBMHK-UHFFFAOYSA-NInChI: InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
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PJ34 盐酸CAS号 : 344458-15-7 Compound CID : 16760621分子式: C17H17N3O2·HCl 分子量: 331.8IUPAC Name: 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide;hydrochlorideSMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32.ClInChIKey: RURAZZMDMNRXMI-UHFFFAOYSA-NInChI: InChI=1S/C17H17N3O2.ClH/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15;/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22);1H
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3-(甲氨基)-L-丙氨酸盐酸盐CAS号 : 16012-55-8 Compound CID : 51358333分子式: C4H10N2O2 · HCl 分子量: 154.6IUPAC Name: (2S)-2-amino-3-(methylamino)propanoic acid;hydrochlorideSMILES: CNCC(C(=O)O)N.ClInChIKey: VDXYGASOGLSIDM-DFWYDOINSA-NInChI: InChI=1S/C4H10N2O2.ClH/c1-6-2-3(5)4(7)8;/h3,6H,2,5H2,1H3,(H,7,8);1H/t3-;/m0./s1
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