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JAK
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Fedratinib(SAR302503,TG101348)CAS号: 936091-26-8 Compound CID : 16722836分子式: C27H36N6O3S 分子量: 524.68IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamideSMILES: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4InChIKey: JOOXLOJCABQBSG-UHFFFAOYSA-NInChI: 1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
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(3S,4S)-托法替尼CAS号: 1092578-47-6 Compound CID : 20111936分子式: C16H20N6O 分子量: 312.37IUPAC Name: 3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrileSMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#NInChIKey: UJLAWZDWDVHWOW-WCQYABFASA-NInChI: 1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m0/s1
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(3S,4R)-托法替尼CAS号: 1092578-48-7 Compound CID : 9966538分子式: C16H20N6O 分子量: 312.37IUPAC Name: 3-[(3S,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrileSMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#NInChIKey: UJLAWZDWDVHWOW-DGCLKSJQSA-NInChI: 1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m1/s1
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WHI-P154,JAK3激酶抑制剂CAS号: 211555-04-3 Compound CID : 3795分子式: C16H14BrN3O3 分子量: 376.2IUPAC Name: 2-bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenolSMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)O)Br)OCInChIKey: CBIAKDAYHRWZCU-UHFFFAOYSA-NInChI: 1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)
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WP1066,JAK / STAT3抑制剂CAS号: 857064-38-1 Compound CID : 11210478分子式: C17H14BrN3O 分子量: 356.22IUPAC Name: (E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamideSMILES: CC(C1=CC=CC=C1)NC(=O)C(=CC2=NC(=CC=C2)Br)C#NInChIKey: VFUAJMPDXIRPKO-LQELWAHVSA-NInChI: 1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1
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WHI-P97,JAK-3抑制剂CAS号: 211555-05-4 Compound CID : 3796分子式: C16H13Br2N3O3 分子量: 455.11IUPAC Name: 2,6-dibromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenolSMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C(=C3)Br)O)Br)OCInChIKey: YVCXQRVVNQMZEI-UHFFFAOYSA-NInChI: 1S/C16H13Br2N3O3/c1-23-13-5-9-12(6-14(13)24-2)19-7-20-16(9)21-8-3-10(17)15(22)11(18)4-8/h3-7,22H,1-2H3,(H,19,20,21)
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XL019,JAK2抑制剂CAS号: 945755-56-6 Compound CID : 57990869分子式: C25H28N6O2 分子量: 444.53IUPAC Name: (2S)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamideSMILES: C1CC(NC1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCOCC5InChIKey: ISOCDPQFIXDIMS-QHCPKHFHSA-NInChI: 1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m0/s1
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ZM 39923 盐酸盐CAS号: 1021868-92-7分子式: C23H25NO.HCl 分子量: 367.91IUPAC Name: 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;hydrochlorideSMILES: CC(C)N(CCC(=O)C1=CC2=CC=CC=C2C=C1)CC3=CC=CC=C3.ClInChIKey: NJTUORMLOPXPBY-UHFFFAOYSA-NInChI: 1S/C23H25NO.ClH/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22;/h3-13,16,18H,14-15,17H2,1-2H3;1H
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巴瑞克替尼CAS号: 1187594-09-7分子式: C16H17N7O2S 分子量: 371.42IUPAC Name: 2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrileSMILES: CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3InChIKey: XUZMWHLSFXCVMG-UHFFFAOYSA-NInChI: 1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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CYT387,JAK 1/2抑制剂CAS号: 1056634-68-4分子式: C23H22N6O2 分子量: 414.47IUPAC Name: N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamideSMILES: C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#NInChIKey: ZVHNDZWQTBEVRY-UHFFFAOYSA-NInChI: 1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
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CEP-33779CAS号: 1257704-57-6分子式: C24H26N6O2S 分子量: 462.57IUPAC Name: N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amineSMILES: CN1CCN(CC1)C2=CC=CC(=C2)NC3=NN4C=CC=C(C4=N3)C5=CC=C(C=C5)S(=O)(=O)CInChIKey: RFZKSQIFOZZIAQ-UHFFFAOYSA-NInChI: 1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
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