小分子和化合物库

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6 项目

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  1. 地诺前列酮
    CAS号 : 363-24-6       
    分子式: C20H32O5        分子量: 352.47
    IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
    SMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
    InChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-N
    InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
  2. 9,11-二脱氧基-11α,9α-亚甲基环氧前列腺素 F2α
      规格或纯度 :
    • Moligand™
    • ≥98%
    • 10 mg/mL in methyl acetate
    CAS号 : 56985-40-1        Compound CID : 5311493
    分子式: C21H34O4        分子量: 350.49
    IUPAC Name: (Z)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
    SMILES: CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)O
    InChIKey: LQANGKSBLPMBTJ-BRSNVKEHSA-N
    InChI: InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1
  3. BW A868C
      规格或纯度 :
    • Moligand™
    • ≥98%
    • A solution in ethanol
    CAS号 : 118675-50-6        Compound CID : 122021
    分子式: C25H37N3O5        分子量: 459.58
    IUPAC Name: 7-[1-benzyl-3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
    SMILES: C1CCC(CC1)C(CNN2C(C(=O)N(C2=O)CC3=CC=CC=C3)CCCCCCC(=O)O)O
    InChIKey: YZJVWSKJHGEIBL-UHFFFAOYSA-N
    InChI: InChI=1S/C25H37N3O5/c29-22(20-13-7-4-8-14-20)17-26-28-21(15-9-1-2-10-16-23(30)31)24(32)27(25(28)33)18-19-11-5-3-6-12-19/h3,5-6,11-12,20-22,26,29H,1-2,4,7-10,13-18H2,(H,30,31)
  4. Asapiprant
    CAS号 : 932372-01-5        Compound CID : 59232326
    分子式: C24H27N3O7S        分子量: 501.55
    IUPAC Name: 2-[2-(1,3-oxazol-2-yl)-5-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]phenoxy]acetic acid
    SMILES: CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C4=NC=CO4)OCC(=O)O
    InChIKey: ZMZNWNTZRWXTJU-UHFFFAOYSA-N
    InChI: InChI=1S/C24H27N3O7S/c1-17(2)34-19-4-6-20(7-5-19)35(30,31)27-12-10-26(11-13-27)18-3-8-21(24-25-9-14-32-24)22(15-18)33-16-23(28)29/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,29)
  5. TG6-129
    CAS号 : 1164464-14-5       
    分子式: C20H18FN5O3S3        分子量: 491.58
    IUPAC Name: (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
    SMILES: CCC1=NN=C(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)\C=C\C3=CC=C(F)C=C3)C=C2)S1
    InChIKey: SYSMVOANBVDZNG-LFYBBSHMSA-N
    InChI: InChI=1S/C20H18FN5O3S3/c1-2-18-24-25-20(31-18)26-32(28,29)16-10-8-15(9-11-16)22-19(30)23-17(27)12-5-13-3-6-14(21)7-4-13/h3-12H,2H2,1H3,(H,25,26)(H2,22,23,27,30)/b12-5+
  6. PGD2-IN-1
      规格或纯度 :
    • ≥98%
    CAS号 : 885066-67-1        Compound CID : 11669780
    分子式: C23H23Cl2N3O3        分子量: 460.35
    IUPAC Name: 2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]-2-methylpropanoic acid
    SMILES: CC(C)(C1=CC=CC(=C1)C2=CC(=NC(=N2)OC)NCCC3=C(C=C(C=C3)Cl)Cl)C(=O)O
    InChIKey: FJKKCRCBBAXLQZ-UHFFFAOYSA-N
    InChI: InChI=1S/C23H23Cl2N3O3/c1-23(2,21(29)30)16-6-4-5-15(11-16)19-13-20(28-22(27-19)31-3)26-10-9-14-7-8-17(24)12-18(14)25/h4-8,11-13H,9-10H2,1-3H3,(H,29,30)(H,26,27,28)
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