化学生物学
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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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4-氯-2-(三氟甲基)苯磺酰氯CAS号 : 54090-42-5 Compound CID : 3715205分子式: C7H3Cl2F3O2S 分子量: 279.1IUPAC Name: 4-chloro-2-(trifluoromethyl)benzenesulfonyl chlorideSMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)S(=O)(=O)ClInChIKey: DQKPVVIVMURTDM-UHFFFAOYSA-NInChI: InChI=1S/C7H3Cl2F3O2S/c8-4-1-2-6(15(9,13)14)5(3-4)7(10,11)12/h1-3H
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2-溴-4-(三氟甲基)苯甲酸甲酯CAS号 : 1214334-90-3 Compound CID : 46311084分子式: C9H6BrF3O2 分子量: 283.04IUPAC Name: methyl 2-bromo-4-(trifluoromethyl)benzoateSMILES: COC(=O)C1=C(C=C(C=C1)C(F)(F)F)BrInChIKey: BKSKYELSIMPUNZ-UHFFFAOYSA-NInChI: InChI=1S/C9H6BrF3O2/c1-15-8(14)6-3-2-5(4-7(6)10)9(11,12)13/h2-4H,1H3
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(-)-顺-2-苯甲酰胺环己甲酸CAS号 : 26693-55-0 Compound CID : 1268226分子式: C14H17NO3 分子量: 247.29IUPAC Name: (1R,2S)-2-benzamidocyclohexane-1-carboxylic acidSMILES: C1CCC(C(C1)C(=O)O)NC(=O)C2=CC=CC=C2InChIKey: PUANNVQABXUYKU-NEPJUHHUSA-NInChI: InChI=1S/C14H17NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)/t11-,12+/m1/s1
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氯丙基POSSCAS号 : 161678-38-2 Compound CID : 15204046分子式: C24H48Cl8O12Si8 分子量: 1036.9IUPAC Name: 1,3,5,7,9,11,13,15-octakis(3-chloropropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosaneSMILES: C(C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]5(O[Si](O2)(O[Si](O3)(O[Si](O4)(O5)CCCCl)CCCCl)CCCCl)CCCCl)CCCCl)CCCCl)CCCCl)CClInChIKey: ZGVGINHDXPKEAB-UHFFFAOYSA-NInChI: InChI=1S/C24H48Cl8O12Si8/c25-9-1-17-45-33-46(18-2-10-26)36-49(21-5-13-29)38-47(34-45,19-3-11-27)40-51(23-7-15-31)41-48(35-45,20-4-12-28)39-50(37-46,22-6-14-30)43-52(42-49,44-51)24-8-16-32/h1-24H2
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聚萘甲醛磺酸钠盐分子式: (C11H7O4SNa)nIUPAC Name: 5-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acidSMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)CC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)OInChIKey: XQFKOAKYKWUBKQ-UHFFFAOYSA-NInChI: InChI=1S/C21H16O6S2/c22-28(23,24)18-7-9-20-14(3-1-5-16(20)12-18)11-15-4-2-6-17-13-19(29(25,26)27)8-10-21(15)17/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27)