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AC-430CAS号 : 1359828-49-1 Compound CID : 56837828分子式: C19H17BrFN5O 分子量: 430.274IUPAC Name: (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;hydrobromideSMILES: CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C(C4=CC=C(C=C4)F)O.BrInChIKey: OXLABSVIPVOENF-UHFFFAOYSA-NInChI: InChI=1S/C19H16FN5O.BrH/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12;/h2-10,17,26H,1H3,(H2,21,22,23,24,25);1H
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6-[(1E)-2-(3,4-二羟基苯基)乙烯基]-4-羟基-2H-吡喃-2-酮(Hispidin)分子式: C13H10O5 分子量: 246.22IUPAC Name: 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxypyran-2-oneSMILES: C1=CC(=C(C=C1C=CC2=CC(=CC(=O)O2)O)O)OInChIKey: SGJNQVTUYXCBKH-HNQUOIGGSA-NInChI: InChI=1S/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,14-16H/b3-1+
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LFM-A13,BTK抑制剂CAS号 : 244240-24-2 Compound CID : 54676905分子式: C11H8Br2N2O2 分子量: 360IUPAC Name: (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamideSMILES: CC(=C(C#N)C(=O)NC1=C(C=CC(=C1)Br)Br)OInChIKey: UVSVTDVJQAJIFG-VURMDHGXSA-NInChI: InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)/b8-6-
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Coumermycin A₁分子式: C55H59N5O20 分子量: 1110.08IUPAC Name: [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[5-[[4-hydroxy-7-[(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylateSMILES: CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(C7=C(C(=C(C=C7)OC8C(C(C(C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)C)OC6=O)O)O)C)OInChIKey: WTIJXIZOODAMJT-DHFGXMAYSA-NInChI: InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1
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NVP-BSK805 2HClCAS号 : 1942919-79-0 Compound CID : 57339395分子式: C27H28F2N6O.2HCl 分子量: 563.47IUPAC Name: 4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;dihydrochlorideSMILES: C1CNCCC1N2C=C(C=N2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCOCC6)F.Cl.ClInChIKey: NUOCAPALWRHKCU-UHFFFAOYSA-NInChI: InChI=1S/C27H28F2N6O.2ClH/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20;;/h1-3,12-16,20,30H,4-11,17H2;2*1H
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GLPG0634类似物CAS号 : 1206101-20-3 Compound CID : 49831257分子式: C23H18N6O2 分子量: 410.43IUPAC Name: N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamideSMILES: C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3C4=CC=C(C=C4)CN5CCS(=O)(=O)CC5InChIKey: RIJLVEAXPNLDTC-UHFFFAOYSA-NInChI: InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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伊他替尼CAS号 : 1334298-90-6 Compound CID : 53380437分子式: C26H23F4N9O 分子量: 553.51IUPAC Name: 2-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrileSMILES: C1CN(CCC1N2CC(C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4)C(=O)C6=C(C(=NC=C6)C(F)(F)F)FInChIKey: KTBSXLIQKWEBRB-UHFFFAOYSA-NInChI: InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)
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Abrocitinib (PF-04965842)CAS号 : 1622902-68-4 Compound CID : 78323835分子式: C14H21N5O2S 分子量: 323.41IUPAC Name: N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]propane-1-sulfonamideSMILES: CCCS(=O)(=O)NC1CC(C1)N(C)C2=NC=NC3=C2C=CN3InChIKey: IUEWXNHSKRWHDY-UHFFFAOYSA-NInChI: InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)