化学生物学
选项
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(R)-2-(Boc-氨基)-5-己炔酸CAS号 : 1217464-82-8 Compound CID : 71310729分子式: C11H17NO4 分子量: 227.26IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-ynoic acidSMILES: CC(C)(C)OC(=O)NC(CCC#C)C(=O)OInChIKey: DPHIBCOGEUVKGB-MRVPVSSYSA-NInChI: InChI=1S/C11H17NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h1,8H,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
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2-乙酰氨基-2-脱氧-β-D-吡喃葡萄糖基叠氮化物CAS号 : 29847-23-2 Compound CID : 10944714分子式: C8H14N4O5 分子量: 246.22IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-azido-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideSMILES: CC(=O)NC1C(C(C(OC1N=[N+]=[N-])CO)O)OInChIKey: CCZCDCDASZJFGK-FMDGEEDCSA-NInChI: InChI=1S/C8H14N4O5/c1-3(14)10-5-7(16)6(15)4(2-13)17-8(5)11-12-9/h4-8,13,15-16H,2H2,1H3,(H,10,14)/t4-,5-,6-,7-,8-/m1/s1
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9-马来酰亚胺吖啶CAS号 : 49759-20-8 Compound CID : 3016496分子式: C17H10N2O2 分子量: 274.28IUPAC Name: 1-acridin-9-ylpyrrole-2,5-dioneSMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N4C(=O)C=CC4=OInChIKey: NCFIKBMPEOEIED-UHFFFAOYSA-NInChI: InChI=1S/C17H10N2O2/c20-15-9-10-16(21)19(15)17-11-5-1-3-7-13(11)18-14-8-4-2-6-12(14)17/h1-10H
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钙黄绿素乙酰氧基甲酯CAS号 : 148504-34-1 Compound CID : 390986分子式: C46H46N2O23 分子量: 994.87IUPAC Name: acetyloxymethyl 2-[[2-(acetyloxymethoxy)-2-oxoethyl]-[[3',6'-diacetyloxy-7'-[[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]methyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl]amino]acetateSMILES: CC(=O)OCOC(=O)CN(CC1=CC2=C(C=C1OC(=O)C)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=C(C(=C3)OC(=O)C)CN(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)CInChIKey: BQRGNLJZBFXNCZ-UHFFFAOYSA-NInChI: InChI=1S/C46H46N2O23/c1-25(49)60-21-64-41(55)17-47(18-42(56)65-22-61-26(2)50)15-31-11-35-39(13-37(31)68-29(5)53)70-40-14-38(69-30(6)54)32(12-36(40)46(35)34-10-8-7-9-33(34)45(59)71-46)16-48(19-43(57)66-23-62-27(3)51)20-44(58)67-24-63-28(4)52/h7-14H,15-24H2,1-6H3
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8-苯胺基-1-萘磺酸镁(II)盐水合物CAS号 : 18108-68-4 Compound CID : 87458分子式: C32H24MgN2O6S2.xH2O 分子量: 620.98IUPAC Name: magnesium;8-anilinonaphthalene-1-sulfonateSMILES: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-].[Mg+2]InChIKey: IRKGXNAZPUOEMW-UHFFFAOYSA-LInChI: InChI=1S/2C16H13NO3S.Mg/c2*18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h2*1-11,17H,(H,18,19,20);/q;;+2/p-2
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1-(叠氮基甲基)芘CAS号 : 1006061-57-9 Compound CID : 89183461分子式: C17H11N3 分子量: 257.30IUPAC Name: 1-(azidomethyl)pyreneSMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CN=[N+]=[N-]InChIKey: WLKXPQFZTSRGHP-UHFFFAOYSA-NInChI: InChI=1S/C17H11N3/c18-20-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9H,10H2
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二苯并环辛炔-马来酰亚胺CAS号 : 1395786-30-7 Compound CID : 77078149分子式: C25H21N3O4 分子量: 427.46IUPAC Name: N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-(2,5-dioxopyrrol-1-yl)propanamideSMILES: C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCN4C(=O)C=CC4=OInChIKey: NHFQNAGPXIVKND-UHFFFAOYSA-NInChI: InChI=1S/C25H21N3O4/c29-22(14-16-27-23(30)11-12-24(27)31)26-15-13-25(32)28-17-20-7-2-1-5-18(20)9-10-19-6-3-4-8-21(19)28/h1-8,11-12H,13-17H2,(H,26,29)
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[[(3,5-二甲基-1H-吡咯-2-基)(3,5-二甲基-2H-吡咯-2-亚基)甲基]甲烷](二氟硼烷)CAS号 : 121207-31-6 Compound CID : 14766991分子式: C14H17BF2N2 分子量: 262.11IUPAC Name: 2,2-difluoro-4,6,8,10,12-pentamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaeneSMILES: [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C)C)C)(F)FInChIKey: DRJHPEGNOPSARR-UHFFFAOYSA-NInChI: InChI=1S/C14H17BF2N2/c1-8-6-10(3)18-13(8)12(5)14-9(2)7-11(4)19(14)15(18,16)17/h6-7H,1-5H3
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DBD-F [=4-(N,N-二甲氨基磺酰)-7-氟-2,1,3-苯并恶二唑][用于高效液相色谱标记]CAS号 : 98358-90-8 Compound CID : 126917分子式: C8H8FN3O3S 分子量: 245.23IUPAC Name: 7-fluoro-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamideSMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)FInChIKey: YZWANFXENNWOOR-UHFFFAOYSA-NInChI: InChI=1S/C8H8FN3O3S/c1-12(2)16(13,14)6-4-3-5(9)7-8(6)11-15-10-7/h3-4H,1-2H3
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DBD-PZ [=4-(N,N-二甲氨基磺酰基)-7-哌嗪-2,1,3-苯并恶二唑][用于高效液相色谱标记]CAS号 : 139332-64-2 Compound CID : 132229分子式: C12H17N5O3S 分子量: 311.36IUPAC Name: N,N-dimethyl-7-piperazin-1-yl-2,1,3-benzoxadiazole-4-sulfonamideSMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCNCC3InChIKey: XFQLOSBBYVMBGT-UHFFFAOYSA-NInChI: InChI=1S/C12H17N5O3S/c1-16(2)21(18,19)10-4-3-9(11-12(10)15-20-14-11)17-7-5-13-6-8-17/h3-4,13H,5-8H2,1-2H3
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3-氟-L-酪氨酸分子式: C9H10FNO3 分子量: 199.18IUPAC Name: (2S)-2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acidSMILES: C1=CC(=C(C=C1CC(C(=O)O)N)F)OInChIKey: VIIAUOZUUGXERI-ZETCQYMHSA-NInChI: InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
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IR 783CAS号 : 115970-66-6 Compound CID : 53438012分子式: C38H46ClN2NaO6S2 分子量: 749.35IUPAC Name: sodium;4-[2-[2-[2-chloro-3-[2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonateSMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCS(=O)(=O)[O-])(C)C)CCC3)Cl)CCCCS(=O)(=O)[O-])C.[Na+]InChIKey: QQIQAVJARACLHE-UHFFFAOYSA-MInChI: InChI=1S/C38H47ClN2O6S2.Na/c1-37(2)30-16-5-7-18-32(30)40(24-9-11-26-48(42,43)44)34(37)22-20-28-14-13-15-29(36(28)39)21-23-35-38(3,4)31-17-6-8-19-33(31)41(35)25-10-12-27-49(45,46)47;/h5-8,16-23H,9-15,24-27H2,1-4H3,(H-,42,43,44,45,46,47);/q;+1/p-1