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小分子和化合物库
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1-(3-氯苯胺基)-4-苯基酞嗪CAS号: 78351-75-4分子式: C20H14ClN3 分子量: 331.8IUPAC Name: N-(3-chlorophenyl)-4-phenylphthalazin-1-amineSMILES: C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)ClInChIKey: CEHQLKSLMFIHBF-UHFFFAOYSA-NInChI: 1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)
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二苯基-1-芘基膦CAS号: 110231-30-6分子式: C28H19P 分子量: 386.43IUPAC Name: diphenyl(pyren-1-yl)phosphaneSMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3InChIKey: DSYGKYCYNVHCNQ-UHFFFAOYSA-NInChI: 1S/C28H19P/c1-3-10-23(11-4-1)29(24-12-5-2-6-13-24)26-19-17-22-15-14-20-8-7-9-21-16-18-25(26)28(22)27(20)21/h1-19H
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NH2-PEG4-COOHCAS号: 663921-15-1分子式: C11H23NO6 分子量: 265.30IUPAC Name: 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoic acidSMILES: C(COCCOCCOCCOCCN)C(=O)OInChIKey: DKUZHSDZSMQOGQ-UHFFFAOYSA-NInChI: 1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14)
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SPDP (3- [2-吡啶基二硫代]琥珀酰亚胺基丙酸酯)CAS号: 68181-17-9 Compound CID : 100682分子式: C12H12N2O4S2 分子量: 312.36IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoateSMILES: C1CC(=O)N(C1=O)OC(=O)CCSSC2=CC=CC=N2InChIKey: JWDFQMWEFLOOED-UHFFFAOYSA-NInChI: 1S/C12H12N2O4S2/c15-10-4-5-11(16)14(10)18-12(17)6-8-19-20-9-3-1-2-7-13-9/h1-3,7H,4-6,8H2
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4-氨基-1,8-萘酰亚胺CAS号: 1742-95-6分子式: C12H8N2O2 分子量: 212.2IUPAC Name: 6-aminobenzo[de]isoquinoline-1,3-dioneSMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)NInChIKey: SSMIFVHARFVINF-UHFFFAOYSA-NInChI: 1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
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炔基-琥珀酰亚胺酯,Alkyne NHS esterCAS号: 906564-59-8分子式: C10H11NO4 分子量: 209.2IUPAC Name: (2,5-dioxopyrrolidin-1-yl) hex-5-ynoateSMILES: C#CCCCC(=O)ON1C(=O)CCC1=OInChIKey: CXSSWEBEHUYETJ-UHFFFAOYSA-NInChI: 1S/C10H11NO4/c1-2-3-4-5-10(14)15-11-8(12)6-7-9(11)13/h1H,3-7H2
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2-(乙酰氧基)苯甲酸酐CAS号: 1466-82-6分子式: C18H14O7 分子量: 342.3IUPAC Name: (2-acetyloxybenzoyl) 2-acetyloxybenzoateSMILES: CC(=O)OC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2OC(=O)CInChIKey: OAWXYINGQXLWOE-UHFFFAOYSA-NInChI: 1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3
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5'-碘-5'-脱氧腺苷CAS号: 4099-81-4分子式: C10H12IN5O3 分子量: 377.14IUPAC Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(iodomethyl)oxolane-3,4-diolSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CI)O)O)NInChIKey: FUWWLIOFNXNKQR-KQYNXXCUSA-NInChI: 1S/C10H12IN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
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2,6-二羟乙氨基甲苯CAS号: 149330-25-6分子式: C11H18N2O2 分子量: 210.27IUPAC Name: 2-[3-(2-hydroxyethylamino)-2-methylanilino]ethanolSMILES: CC1=C(C=CC=C1NCCO)NCCOInChIKey: FGYCMSFOZIRDLN-UHFFFAOYSA-NInChI: 1S/C11H18N2O2/c1-9-10(12-5-7-14)3-2-4-11(9)13-6-8-15/h2-4,12-15H,5-8H2,1H3
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R(+)-维拉帕米单盐酸盐CAS号: 38176-02-2 Compound CID : 170014分子式: C27H39ClN2O4 分子量: 491.06IUPAC Name: (2R)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochlorideSMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.ClInChIKey: DOQPXTMNIUCOSY-HZPIKELBSA-NInChI: 1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H/t27-;/m1./s1
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