小分子和化合物库
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26 2-(4'-溴-[11'-联苯] -4-基)-22-二氟乙酸CAS号: 1436389-34-2分子式: C14H9BrF2O2 分子量: 327.12IUPAC Name: 2-[4-(4-bromophenyl)phenyl]-2,2-difluoroacetic acidSMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(C(=O)O)(F)FInChIKey: DHDLIMJGRORDSX-UHFFFAOYSA-NInChI: 1S/C14H9BrF2O2/c15-12-7-3-10(4-8-12)9-1-5-11(6-2-9)14(16,17)13(18)19/h1-8H,(H,18,19)
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去氢钩藤碱分子式: C22H26N2O4 分子量: 382.45IUPAC Name: methyl (E)-2-[(3R,6'R,7'S,8'aS)-6'-ethenyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoateSMILES: COC=C(C1CC2C3(CCN2CC1C=C)C4=CC=CC=C4NC3=O)C(=O)OCInChIKey: MUVGVMUWMAGNSY-KAXDATADSA-NInChI: 1S/C22H26N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h4-8,13-15,19H,1,9-12H2,2-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1
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6-氯-3-碘咪唑并[1,2-b]哒嗪CAS号: 923595-49-7分子式: C6H3ClIN3 分子量: 279.47IUPAC Name: 6-chloro-3-iodoimidazo[1,2-b]pyridazineSMILES: C1=CC(=NN2C1=NC=C2I)ClInChIKey: IWHCPHZAMFSDFM-UHFFFAOYSA-NInChI: 1S/C6H3ClIN3/c7-4-1-2-6-9-3-5(8)11(6)10-4/h1-3H
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1,3:2,4-二对甲基苄叉山梨醇CAS号: 54686-97-4分子式: C22H26O6 分子量: 386.44IUPAC Name: (1R)-1-[(4R,4aR,8aS)-2,6-bis(4-methylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diolSMILES: CC1=CC=C(C=C1)C2OCC3C(O2)C(OC(O3)C4=CC=C(C=C4)C)C(CO)OInChIKey: LQAFKEDMOAMGAK-RLCYQCIGSA-NInChI: 1S/C22H26O6/c1-13-3-7-15(8-4-13)21-25-12-18-20(28-21)19(17(24)11-23)27-22(26-18)16-9-5-14(2)6-10-16/h3-10,17-24H,11-12H2,1-2H3/t17-,18+,19-,20-,21?,22?/m1/s1
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盐酸六氢芬宁CAS号: 548-66-3分子式: C20H32ClNO2 分子量: 353.93IUPAC Name: 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate;hydrochlorideSMILES: CCN(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2.ClInChIKey: WIELVDXKOYPANK-UHFFFAOYSA-NInChI: 1S/C20H31NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3;1H
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38 (2-(25-二氟苯基)环丙基)甲醇CAS号: 917342-18-8分子式: C10H10F2O 分子量: 184.19IUPAC Name: [2-(2,5-difluorophenyl)cyclopropyl]methanolSMILES: C1C(C1C2=C(C=CC(=C2)F)F)COInChIKey: FJUBCGVHSHOJMF-UHFFFAOYSA-NInChI: 1S/C10H10F2O/c11-7-1-2-10(12)9(4-7)8-3-6(8)5-13/h1-2,4,6,8,13H,3,5H2
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06 (2-(35-二氟苯基)环丙基)甲醇CAS号: 1696588-54-1 Compound CID : 106534652分子式: C10H10F2O 分子量: 184.19IUPAC Name: [2-(3,5-difluorophenyl)cyclopropyl]methanolSMILES: C1C(C1C2=CC(=CC(=C2)F)F)COInChIKey: VUBHQXODHNUPSH-UHFFFAOYSA-NInChI: 1S/C10H10F2O/c11-8-1-6(2-9(12)4-8)10-3-7(10)5-13/h1-2,4,7,10,13H,3,5H2
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54 22-二氟-2-(3-羟苯基)乙酸CAS号: 1785497-82-6分子式: C8H6F2O3 分子量: 188.13IUPAC Name: 2,2-difluoro-2-(3-hydroxyphenyl)acetic acidSMILES: C1=CC(=CC(=C1)O)C(C(=O)O)(F)FInChIKey: PZMIZKBBSYJCCH-UHFFFAOYSA-NInChI: 1S/C8H6F2O3/c9-8(10,7(12)13)5-2-1-3-6(11)4-5/h1-4,11H,(H,12,13)
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4,9-二溴萘并[2,3-c][1,2,5]噻二唑CAS号: 18557-22-7分子式: C10H4Br2N2S 分子量: 344.04IUPAC Name: 4,9-dibromobenzo[f][2,1,3]benzothiadiazoleSMILES: C1=CC2=C(C3=NSN=C3C(=C2C=C1)Br)BrInChIKey: XGTQHVQKGZSPIK-UHFFFAOYSA-NInChI: 1S/C10H4Br2N2S/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13-15-14-10/h1-4H
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反式-邻溴肉桂醛CAS号: 138555-58-5分子式: C9H7BrO 分子量: 211.06IUPAC Name: (E)-3-(2-bromophenyl)prop-2-enalSMILES: C1=CC=C(C(=C1)C=CC=O)BrInChIKey: NIDKLBQFMCVZKV-HWKANZROSA-NInChI: 1S/C9H7BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-7H/b5-3+
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四[4-(3,5-二羧基苯基)]四苯基乙烯CAS号: 1420471-57-3分子式: C58H36O16 分子量: 988.89IUPAC Name: 5-[4-[1,2,2-tris[4-(3,5-dicarboxyphenyl)phenyl]ethenyl]phenyl]benzene-1,3-dicarboxylic acidSMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=C(C3=CC=C(C=C3)C4=CC(=CC(=C4)C(=O)O)C(=O)O)C5=CC=C(C=C5)C6=CC(=CC(=C6)C(=O)O)C(=O)O)C7=CC=C(C=C7)C8=CC(=CC(=C8)C(=O)O)C(=O)OInChIKey: NEIPNCJVXBDVQM-UHFFFAOYSA-NInChI: See more
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![26 2-(4'-溴-[11'-联苯] -4-基)-22-二氟乙酸](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/B/3/B302877.png)

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