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酶抑制剂和酶底物
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木利替尼CAS号 : 366017-09-6 Compound CID : 6444692分子式: C25H23F3N4O2 分子量: 468.47IUPAC Name: 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazoleSMILES: C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)FInChIKey: ZTFBIUXIQYRUNT-MDWZMJQESA-NInChI: InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+
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2,5-二羟基肉桂酸甲酯CAS号 : 63177-57-1 Compound CID : 5353609分子式: C10H10O4 分子量: 194.18IUPAC Name: methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoateSMILES: COC(=O)C=CC1=C(C=CC(=C1)O)OInChIKey: BQCNSTFWSKOWMA-GORDUTHDSA-NInChI: InChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+
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氯化硝基四氮唑蓝(NBT)CAS号 : 298-83-9分子式: C40H30N10O6 · 2Cl 分子量: 817.64IUPAC Name: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;dichlorideSMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-]InChIKey: FSVCQIDHPKZJSO-UHFFFAOYSA-LInChI: InChI=1S/C40H30N10O6.2ClH/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54;;/h3-26H,1-2H3;2*1H/q+2;;/p-2
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1-萘磷酸单钠盐，一水CAS号 : 81012-89-7分子式: C10H8NaO4P.H2O 分子量: 264.15IUPAC Name: sodium;naphthalen-1-yl hydrogen phosphate;hydrateSMILES: C1=CC=C2C(=C1)C=CC=C2OP(=O)(O)[O-].O.[Na+]InChIKey: NSWUDGODQXQNON-UHFFFAOYSA-MInChI: InChI=1S/C10H9O4P.Na.H2O/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;1H2/q;+1;/p-1
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Necrostatin-1,特异性坏死病抑制剂分子式: C13H13N3OS 分子量: 259.33IUPAC Name: 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-oneSMILES: CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32InChIKey: TXUWMXQFNYDOEZ-UHFFFAOYSA-NInChI: InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)
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NVP-BHG712,EphB4 激酶自身磷酸化 的抑制剂CAS号 : 940310-85-0 Compound CID : 16747388分子式: C26H20F3N7O 分子量: 503.48IUPAC Name: 4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamideSMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)CInChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-NInChI: InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)32-19-7-3-6-18(12-19)26(27,28)29)11-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35)
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甲磺酸萘莫司他CAS号 : 82956-11-4 Compound CID : 5311180分子式: C19H17N5O2·2CH4O3S 分子量: 539.58IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acidSMILES: CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)NInChIKey: SRXKIZXIRHMPFW-UHFFFAOYSA-NInChI: InChI=1S/C19H17N5O2.2CH4O3S/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;2*1-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);2*1H3,(H,2,3,4)
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奈韦拉平CAS号 : 129618-40-2 Compound CID : 4463分子式: C15H14N4O 分子量: 266.3IUPAC Name: 2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-oneSMILES: CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4InChIKey: NQDJXKOVJZTUJA-UHFFFAOYSA-NInChI: InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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尼氟酸分子式: C13H9F3N2O2 分子量: 282.22IUPAC Name: 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acidSMILES: C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)FInChIKey: JZFPYUNJRRFVQU-UHFFFAOYSA-NInChI: InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
