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11 项目

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  1. 渥曼青霉素
    CAS号: 19545-26-7        Compound CID : 312145
    分子式: C23H24O8        分子量: 428.43
    IUPAC Name: [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate
    SMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)C
    InChIKey: QDLHCMPXEPAAMD-QAIWCSMKSA-N
    InChI: 1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
  2. AS 2444697,IRAK4抑制剂
      规格或纯度 :
    • ≥98%
    CAS号: 1287665-60-4
    分子式: C19H20N6O4•HCl        分子量: 432.86
    IUPAC Name: N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride
    SMILES: CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CN(N=C3C(=O)N)C4CCOCC4.Cl
    InChIKey: FGNHLIIFEDYNFZ-UHFFFAOYSA-N
    InChI: 1S/C19H20N6O4.ClH/c1-11-8-12(2-5-21-11)19-23-15(10-29-19)18(27)22-14-9-25(24-16(14)17(20)26)13-3-6-28-7-4-13;/h2,5,8-10,13H,3-4,6-7H2,1H3,(H2,20,26)(H,22,27);1H
  3. N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
           Compound CID : 156506667
    IUPAC Name: N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridiSee more
    SMILES: CC(C)(O)c1cc2c(sc(n2)[C@H]2CC[C@H](CN3CC4(CC(CCNc5c6C(=O)N(C7CCC(=O)NC7=O)C(=O)c6ccc5)C4)C3)CC2)cc1NC(=O)c1cccc(n1)C(F)(F)F
    InChIKey: WDRJGMSUTPVXDH-KBOGUJPVSA-N
    InChI: 1S/C45H48F3N7O6S/c1-43(2,61)28-17-32-34(18-31(28)51-38(57)30-7-4-8-35(50-30)45(46,47)48)62-40(52-32)26-11-9-24(10-12-26)21-54-22-44(23-54)19-25(20-44)15-16-49-29-6-3-5-27-37(29)42(60)55(41(27)59)33-13See more
  4. NSC781406
    CAS号: 1676893-24-5        Compound CID : 127025628
    分子式: C29H27F2N5O5S2        分子量: 627.68
    IUPAC Name: 2,4-difluoro-N-[2-methoxy-5-[4-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinolin-6-yl]pyridin-3-yl]benzenesulfonamide
    SMILES: COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCN4CCN(CC4)S(=O)(=O)C)NS(=O)(=O)C5=C(C=C(C=C5)F)F
    InChIKey: BBRINJUWZRLWKK-UHFFFAOYSA-N
    InChI: 1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3
  5. SCH-1473759 hydrochloride
      规格或纯度 :
    • ≥99%
    CAS号: 1094067-13-6        Compound CID : 53317913
    分子式: C20H27ClN8OS        分子量: 463.00
    IUPAC Name: 2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride
    SMILES: CCN(CC1=NSC(=C1)NC2=NC(=CN3C2=NC=C3C4=CNN=C4)C)C(C)(C)CO.Cl
    InChIKey: YBAZMWNWFHDNTH-UHFFFAOYSA-N
    InChI: 1S/C20H26N8OS.ClH/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18;/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25);1H
  6. PIK-108
      规格或纯度 :
    • ≥99%
    CAS号: 901398-68-3        Compound CID : 70686584
    分子式: C22H24N2O3        分子量: 364.44
    IUPAC Name: 8-(1-anilinoethyl)-6-methyl-2-morpholin-4-ylchromen-4-one
    SMILES: CC1=CC2=C(C(=C1)C(C)NC3=CC=CC=C3)OC(=CC2=O)N4CCOCC4
    InChIKey: VRCXIJAYLCUSHC-UHFFFAOYSA-N
    InChI: 1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3
  7. SAR-260301
      规格或纯度 :
    • ≥99%
    CAS号: 1260612-13-2        Compound CID : 135565159
    分子式: C19H22N4O3        分子量: 354.40
    IUPAC Name: 2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-morpholin-4-yl-1H-pyrimidin-6-one
    SMILES: CC1CC2=CC=CC=C2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4
    InChIKey: UAXHPOBBKRWJGA-ZDUSSCGKSA-N
    InChI: 1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)/t13-/m0/s1
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