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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. 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
  3. GDP366
      规格或纯度 :
    • ≥99%
    CAS号: 501698-03-9        Compound CID : 6539985
    分子式: C20H17N5OS        分子量: 375.4
    IUPAC Name: 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
    SMILES: CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=CSC4=NC=NC(=C34)N
    InChIKey: DZSUJUOJJJCWGG-UHFFFAOYSA-N
    InChI: 1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
  4. 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
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