化学生物学
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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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NIR797-异硫氰酸酯CAS号 : 152111-91-6 Compound CID : 16220153分子式: C45H50N3NaO6S4 分子量: 880.14IUPAC Name: sodium;4-[(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(4-isothiocyanatophenyl)sulfanylcyclohex-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)SC6=CC=C(C=C6)N=C=S)CCCCS(=O)(=O)[O-])C.[Na+]InChIKey: URQBXUCJHTXMKS-UHFFFAOYSA-MInChI: InChI=1S/C45H51N3O6S4.Na/c1-44(2)37-16-5-7-18-39(37)47(28-9-11-30-57(49,50)51)41(44)26-20-33-14-13-15-34(43(33)56-36-24-22-35(23-25-36)46-32-55)21-27-42-45(3,4)38-17-6-8-19-40(38)48(42)29-10-12-31-58(52,53)54;/h5-8,16-27H,9-15,28-31H2,1-4H3,(H-,49,50,51,52,53,54);/q;+1/p-1
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5(6)-羧基荧光素二乙酸酯CAS号 : 124387-19-5 Compound CID : 44119974分子式: C25H16O9 分子量: 460.39IUPAC Name: 3',6'-diacetyloxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-4-carboxylic acid;3',6'-diacetyloxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acidSMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C=CC(=C5)C(=O)O)C(=O)O3.CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C=CC=C5C(=O)O)C(=O)O3InChIKey: SWRGCNMDGRMQGB-UHFFFAOYSA-NInChI: InChI=1S/2C25H16O9/c1-12(26)31-15-4-7-18-21(10-15)33-22-11-16(32-13(2)27)5-8-19(22)25(18)20-9-14(23(28)29)3-6-17(20)24(30)34-25;1-12(26)31-14-6-8-18-20(10-14)33-21-11-15(32-13(2)27)7-9-19(21)25(18)22-16(23(28)29)4-3-5-17(22)24(30)34-25/h2*3-11H,1-2H3,(H,28,29)
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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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钙黄绿素蓝CAS号 : 54375-47-2 Compound CID : 5393133分子式: C15H15NO7 分子量: 321.29IUPAC Name: 2-[carboxymethyl-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]amino]acetic acidSMILES: CC1=CC(=O)OC2=C1C=CC(=C2CN(CC(=O)O)CC(=O)O)OInChIKey: RJPSHDMGSVVHFA-UHFFFAOYSA-NInChI: InChI=1S/C15H15NO7/c1-8-4-14(22)23-15-9(8)2-3-11(17)10(15)5-16(6-12(18)19)7-13(20)21/h2-4,17H,5-7H2,1H3,(H,18,19)(H,20,21)
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丹磺酰甘氨酸分子式: C14H16N2O4S 分子量: 308.35IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetic acidSMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC(=O)OInChIKey: QHFXORCWAQTTGH-UHFFFAOYSA-NInChI: InChI=1S/C14H16N2O4S/c1-16(2)12-7-3-6-11-10(12)5-4-8-13(11)21(19,20)15-9-14(17)18/h3-8,15H,9H2,1-2H3,(H,17,18)
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钆布醇 一水合物CAS号 : 198637-52-4 Compound CID : 154723961分子式: C18H31GdN4O9•H2O 分子量: 622.74IUPAC Name: 2-[4,10-bis(carboxylatomethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+);hydrateSMILES: C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].O.[Gd+3]InChIKey: LAKUDJWFTFYTQQ-UHFFFAOYSA-KInChI: InChI=1S/C18H34N4O9.Gd.H2O/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);;1H2/q;+3;/p-3
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高氯酸罗丹明640CAS号 : 72102-91-1 Compound CID : 153490分子式: C32H31ClN2O7 分子量: 591.06IUPAC Name: 2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid;perchlorateSMILES: C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=CC=CC=C8C(=O)O)CCC7.[O-]Cl(=O)(=O)=OInChIKey: DJWWHVKRLDNDJK-UHFFFAOYSA-NInChI: InChI=1S/C32H30N2O3.ClHO4/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31;2-1(3,4)5/h1-2,9-10,17-18H,3-8,11-16H2;(H,2,3,4,5)
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Fluo-4 AM (钙离子荧光探针)CAS号 : 273221-67-3 Compound CID : 4060965分子式: C51H50F2N2O23 分子量: 1096.94IUPAC Name: acetyloxymethyl 2-[2-[2-[5-[3-(acetyloxymethoxy)-2,7-difluoro-6-oxoxanthen-9-yl]-2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-N-[2-(acetyloxymethoxy)-2-oxoethyl]-4-methylanilino]acetateSMILES: CC1=CC(=C(C=C1)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCCOC2=C(C=CC(=C2)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)F)OCOC(=O)C)F)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)CInChIKey: QOMNQGZXFYNBNG-UHFFFAOYSA-NInChI: InChI=1S/C51H50F2N2O23/c1-28-7-9-39(54(19-47(62)74-24-69-30(3)57)20-48(63)75-25-70-31(4)58)45(13-28)66-11-12-67-46-14-34(8-10-40(46)55(21-49(64)76-26-71-32(5)59)22-50(65)77-27-72-33(6)60)51-35-15-37(52)41(61)17-42(35)78-43-18-44(38(53)16-36(43)51)73-23-68-29(2)56/h7-10,13-18H,11-12,19-27H2,1-6H3