小分子和化合物库
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4-(甲基亚硝基氨基)丁酸CAS号: 61445-55-4分子式: C5H10N2O3 分子量: 146.15IUPAC Name: 4-[methyl(nitroso)amino]butanoic acidSMILES: CN(CCCC(=O)O)N=OInChIKey: SJLBIPLIGYWGJV-UHFFFAOYSA-NInChI: 1S/C5H10N2O3/c1-7(6-10)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)
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葡萄糖酸锰分子式: C12H22MnO14IUPAC Name: manganese(2+);(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoateSMILES: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Mn+2]InChIKey: OXHQNTSSPHKCPB-IYEMJOQQSA-LInChI: 1S/2C6H12O7.Mn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1
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单-(6-三乙烯四胺-6-去氧)-β-环糊精CAS号: 65294-33-9 Compound CID : 145712333分子式: C48H86N4O34 分子量: 1263.2IUPAC Name: See moreSMILES: C(CNCCNCCNCC1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)NInChIKey: HROGENJBMJHDFH-IHHCOHTPSA-NInChI: See more
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2,2'-亚甲基二苯胺CAS号: 6582-52-1分子式: C13H14N2 分子量: 198.26IUPAC Name: 2-[(2-aminophenyl)methyl]anilineSMILES: C1=CC=C(C(=C1)CC2=CC=CC=C2N)NInChIKey: OHKOAJUTRVTYSW-UHFFFAOYSA-NInChI: 1S/C13H14N2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,14-15H2
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(6ci7ci8ci9ci)-4-甲基喹唑啉CAS号: 700-46-9分子式: C9H8N2 分子量: 144.17IUPAC Name: 4-methylquinazolineSMILES: CC1=NC=NC2=CC=CC=C12InChIKey: JWEOEZZCZCCPJL-UHFFFAOYSA-NInChI: 1S/C9H8N2/c1-7-8-4-2-3-5-9(8)11-6-10-7/h2-6H,1H3
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莫非佐酸CAS号: 78967-07-4分子式: C19H17NO5 分子量: 339.35IUPAC Name: 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acidSMILES: COC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CC(=O)OInChIKey: DJEIHHYCDCTAAH-UHFFFAOYSA-NInChI: 1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
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3-溴-5-碘苯甲酸甲酯CAS号: 188813-07-2分子式: C8H6O2BrI 分子量: 340.94IUPAC Name: methyl 3-bromo-5-iodobenzoateSMILES: COC(=O)C1=CC(=CC(=C1)I)BrInChIKey: WUSQONUPNHFBOU-UHFFFAOYSA-NInChI: 1S/C8H6BrIO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
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SPDB,可降解的 ADC linkerCAS号: 115088-06-7分子式: C13H14N2O4S2 分子量: 326.39IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)butanoateSMILES: C1CC(=O)N(C1=O)OC(=O)CCCSSC2=CC=CC=N2InChIKey: JSHOVKSMJRQOGY-UHFFFAOYSA-NInChI: 1S/C13H14N2O4S2/c16-11-6-7-12(17)15(11)19-13(18)5-3-9-20-21-10-4-1-2-8-14-10/h1-2,4,8H,3,5-7,9H2
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N-BOC-3-氯丙基胺CAS号: 116861-31-5分子式: C8H16ClNO2 分子量: 193.67IUPAC Name: tert-butyl N-(3-chloropropyl)carbamateSMILES: CC(C)(C)OC(=O)NCCCClInChIKey: GLGLWGNZBMZWHG-UHFFFAOYSA-NInChI: 1S/C8H16ClNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
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2-萘酚-6,8-二磺酸CAS号: 118-32-1分子式: C10H8O7S2 分子量: 304.30IUPAC Name: 7-hydroxynaphthalene-1,3-disulfonic acidSMILES: C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)OInChIKey: DOBIZWYVJFIYOV-UHFFFAOYSA-NInChI: 1S/C10H8O7S2/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
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