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小分子和化合物库
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N-(3-羟基辛酰基)-DL-高丝氨酸内酯CAS号: 853799-77-6分子式: C12H21NO4 分子量: 243.302IUPAC Name: 3-hydroxy-N-(2-oxooxolan-3-yl)octanamideSMILES: CCCCCC(CC(=O)NC1CCOC1=O)OInChIKey: XCZVBYOXRSFQBH-UHFFFAOYSA-NInChI: 1S/C12H21NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h9-10,14H,2-8H2,1H3,(H,13,15)
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硫酸奎宁荧光标准物质分子式: C40H48N4O4.H2SO4.2H2O 分子量: 782.95IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrateSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)OInChIKey: ZHNFLHYOFXQIOW-LPYZJUEESA-NInChI: See more
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ML-9,蛋白激酶抑制剂CAS号: 105637-50-1 Compound CID : 108047分子式: C15H17N2O2SCl · HCl 分子量: 361.29IUPAC Name: 1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane;hydrochlorideSMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl.ClInChIKey: ZNRYCIVTNLZOGI-UHFFFAOYSA-NInChI: 1S/C15H17ClN2O2S.ClH/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18;/h1-2,4-7,17H,3,8-11H2;1H
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碳酰氰 4-(三氟甲氧基)苯腙（FCCP）CAS号: 370-86-5分子式: CF3OC6H4NHN=C(CN)2 分子量: 254.17IUPAC Name: 2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrileSMILES: C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)FInChIKey: BMZRVOVNUMQTIN-UHFFFAOYSA-NInChI: 1S/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H
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四螨嗪CAS号: 74115-24-5 EC号: 277-728-2分子式: C14H8Cl2N4 分子量: 303.15IUPAC Name: 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazineSMILES: C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)ClInChIKey: UXADOQPNKNTIHB-UHFFFAOYSA-NInChI: 1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
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双辛基马来酰亚胺 IVCAS号: 119139-23-0分子式: C20H13N3O2 分子量: 327.34IUPAC Name: 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dioneSMILES: C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54InChIKey: DQYBRTASHMYDJG-UHFFFAOYSA-NInChI: 1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
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D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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内消旋-2,6-二氨基庚二酸CAS号: 922-54-3分子式: C7H14N2O4 分子量: 190.2IUPAC Name: (2S,6R)-2,6-diaminoheptanedioic acidSMILES: C(CC(C(=O)O)N)CC(C(=O)O)NInChIKey: GMKMEZVLHJARHF-SYDPRGILSA-NInChI: 1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+
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NG-羟基-L-精氨酸 乙酸盐CAS号: 53598-01-9 Compound CID : 11957565分子式: C6H14N4O3 · C2H4O2 分子量: 250.25IUPAC Name: acetic acid;(2S)-2-amino-5-[[amino-(hydroxyamino)methylidene]amino]pentanoic acidSMILES: CC(=O)O.C(CC(C(=O)O)N)CN=C(N)NOInChIKey: VYMCYRPQICLHKC-WCCKRBBISA-NInChI: 1S/C6H14N4O3.C2H4O2/c7-4(5(11)12)2-1-3-9-6(8)10-13;1-2(3)4/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10);1H3,(H,3,4)/t4-;/m0./s1
