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非美诺司他CAS号 : 1339928-25-4 Compound CID : 54575456分子式: C23H24N8O4S 分子量: 508.55IUPAC Name: N-hydroxy-2-[[2-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamideSMILES: CN(CC1=CC2=C(S1)C(=NC(=N2)C3=CN=C(C=C3)OC)N4CCOCC4)C5=NC=C(C=N5)C(=O)NOInChIKey: JOWXJLIFIIOYMS-UHFFFAOYSA-NInChI: InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)
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ABT-199 (GDC-0199),Bcl-2抑制剂CAS号 : 1257044-40-8 Compound CID : 49846579分子式: C45H50ClN7O7S 分子量: 868.44IUPAC Name: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamideSMILES: CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)CInChIKey: LQBVNQSMGBZMKD-UHFFFAOYSA-NInChI: InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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BX 471,CCR1拮抗剂CAS号 : 217645-70-0 Compound CID : 512282分子式: C21H24ClFN4O3 分子量: 434.89IUPAC Name: [5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]ureaSMILES: CC1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)FInChIKey: XQYASZNUFDVMFH-CQSZACIVSA-NInChI: InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1
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CAY10603CAS号 : 1045792-66-2 Compound CID : 24951314分子式: C22H30N4O6 分子量: 446.5IUPAC Name: tert-butyl N-[4-[3-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]-1,2-oxazol-5-yl]phenyl]carbamateSMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NOInChIKey: WWGBHDIHIVGYLZ-UHFFFAOYSA-NInChI: InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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Tubastatin ACAS号 : 1252003-15-8 Compound CID : 49850262分子式: C20H21N3O2 分子量: 335.4IUPAC Name: N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamideSMILES: CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NOInChIKey: GOVYBPLHWIEHEJ-UHFFFAOYSA-NInChI: InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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奥巴克拉 (GX15-070)CAS号 : 803712-67-6 Compound CID : 57353643分子式: C20H19N3O 分子量: 317.38IUPAC Name: 2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indoleSMILES: CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)CInChIKey: CVCLJVVBHYOXDC-UHFFFAOYSA-NInChI: InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21,23H,1-3H3
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Tubastatin ACAS号 : 1252003-15-8 Compound CID : 49850262分子式: C20H21N3O2 分子量: 335.4IUPAC Name: N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamideSMILES: CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NOInChIKey: GOVYBPLHWIEHEJ-UHFFFAOYSA-NInChI: InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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BX471 hydrochlorideCAS号 : 288262-96-4(DMSO)分子式: C21H25Cl2FN4O3 分子量: 471.3SMILES: CC1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F.Cl
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BI 639667CAS号 : 1295298-26-8(DMSO)分子式: C22H18FN5O3S 分子量: 451.47SMILES: CS(=O)(=O)C1=NC=CC(=C1)C2(CC2)NC(=O)C3=CN=CC4=C3C=NN4C5=CC=C(C=C5)F
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CCX354CAS号 : 1010073-75-2 Compound CID : 135565361分子式: C22H22ClN7O2 分子量: 451.91IUPAC Name: 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[3,4-b]pyridin-1-yl]ethanoneSMILES: COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CN3C4=C(C=CC=N4)C(=N3)C5=NC=CN5)ClInChIKey: ZIMLRKWQDLVPEK-UHFFFAOYSA-NInChI: InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)
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CCR1 antagonist 9CAS号 : 1220026-26-5 Compound CID : 59278314分子式: C20H16FN5O3S 分子量: 425.44IUPAC Name: 1-(4-fluorophenyl)-N-[(2-methylsulfonylpyridin-4-yl)methyl]pyrazolo[3,4-c]pyridine-4-carboxamideSMILES: CS(=O)(=O)C1=NC=CC(=C1)CNC(=O)C2=CN=CC3=C2C=NN3C4=CC=C(C=C4)FInChIKey: DCHROQCNJDJPGN-UHFFFAOYSA-NInChI: InChI=1S/C20H16FN5O3S/c1-30(28,29)19-8-13(6-7-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-4-2-14(21)3-5-15/h2-8,10-12H,9H2,1H3,(H,24,27)
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BI 639667CAS号 : 1295298-26-8 Compound CID : 52916803分子式: C22H18FN5O3S 分子量: 451.47IUPAC Name: 1-(4-fluorophenyl)-N-[1-(2-methylsulfonylpyridin-4-yl)cyclopropyl]pyrazolo[3,4-c]pyridine-4-carboxamideSMILES: CS(=O)(=O)C1=NC=CC(=C1)C2(CC2)NC(=O)C3=CN=CC4=C3C=NN4C5=CC=C(C=C5)FInChIKey: PXQATVYJKMMHAU-UHFFFAOYSA-NInChI: InChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29)
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