JAK/STAT 信号通路
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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: InChI=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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AC480 (BMS-599626),HER1和HER2抑制剂CAS号 : 714971-09-2 Compound CID : 10437018分子式: C27H27FN8O3 分子量: 530.55IUPAC Name: [(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamateSMILES: CC1=C2C(=NC=NN2C=C1NC(=O)OCC3COCCN3)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)FInChIKey: LUJZZYWHBDHDQX-QFIPXVFZSA-NInChI: InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1
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BMS-690514CAS号 : 859853-30-8 Compound CID : 11349170分子式: C19H24N6O2 分子量: 368.44IUPAC Name: (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-olSMILES: COC1=CC=CC(=C1)NC2=NC=NN3C2=C(C=C3)CN4CCC(C(C4)O)NInChIKey: CSGQVNMSRKWUSH-IAGOWNOFSA-NInChI: InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
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巴瑞克替尼CAS号 : 1187594-09-7 Compound CID : 44205240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: InChI=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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紫铆因分子式: C15H12O5 分子量: 272.25IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-oneSMILES: C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)OInChIKey: AYMYWHCQALZEGT-ORCRQEGFSA-NInChI: InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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隐丹参酮CAS号 : 35825-57-1 Compound CID : 160254分子式: C19H20O3 分子量: 296.36IUPAC Name: (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dioneSMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CInChIKey: GVKKJJOMQCNPGB-JTQLQIEISA-NInChI: InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
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隐丹参酮CAS号 : 35825-57-1 Compound CID : 160254分子式: C19H20O3 分子量: 296.36IUPAC Name: (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dioneSMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CInChIKey: GVKKJJOMQCNPGB-JTQLQIEISA-NInChI: InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
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CO-1686(AVL-301),EGFR抑制剂CAS号 : 1374640-70-6 Compound CID : 57335384分子式: C27H28F3N7O3 分子量: 555.55IUPAC Name: N-[3-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamideSMILES: CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OCInChIKey: HUFOZJXAKZVRNJ-UHFFFAOYSA-NInChI: InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
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CX-6258,pan-Pim激酶抑制剂CAS号 : 1202916-90-2 Compound CID : 44545852分子式: C26H24ClN3O3 分子量: 461.94IUPAC Name: (3E)-5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-oneSMILES: CN1CCCN(CC1)C(=O)C2=CC=CC(=C2)C3=CC=C(O3)C=C4C5=C(C=CC(=C5)Cl)NC4=OInChIKey: KGBPLKOPSFDBOX-CJLVFECKSA-NInChI: InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+
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CYT387,JAK 1/2抑制剂CAS号 : 1056634-68-4 Compound CID : 25062766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: InChI=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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卡奈替尼 (CI-1033)CAS号 : 267243-28-7 Compound CID : 156414分子式: C24H25ClFN5O3 分子量: 485.94IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamideSMILES: C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4InChIKey: OMZCMEYTWSXEPZ-UHFFFAOYSA-NInChI: InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)