小分子和化合物库

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显示第112个,产品总数22

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  1. PP242,mTOR抑制剂
    CAS号 : 1092351-67-1        Compound CID : 135565635
    分子式: C16H16N6O        分子量: 308.34
    IUPAC Name: 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
    SMILES: CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(N3)C=CC(=C4)O)N
    InChIKey: MFAQYJIYDMLAIM-UHFFFAOYSA-N
    InChI: InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
  2. PD173955
    CAS号 : 260415-63-2        Compound CID : 447077
    分子式: C21H16Cl2N4OS        分子量: 443.35
    IUPAC Name: 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidin-7-one
    SMILES: CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC(=CC=C4)SC
    InChIKey: VAARYSWULJUGST-UHFFFAOYSA-N
    InChI: InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
  3. PD173955
    CAS号 : 260415-63-2        Compound CID : 447077
    分子式: C21H16Cl2N4OS        分子量: 443.35
    IUPAC Name: 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidin-7-one
    SMILES: CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC(=CC=C4)SC
    InChIKey: VAARYSWULJUGST-UHFFFAOYSA-N
    InChI: InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
  4. 2,6-difluoro-N-[2-fluoro-5-[5-[2-[(6-morpholin-4-ylpyridin-3-yl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
           Compound CID : 46927672
    IUPAC Name: 2,6-difluoro-N-[2-fluoro-5-[5-[2-[(6-morpholin-4-ylpyridin-3-yl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
    SMILES: CC(c1sc(c(n1)c1ccc(c(c1)NS(=O)(=O)c1c(F)cccc1F)F)c1ccnc(n1)Nc1ccc(nc1)N1CCOCC1)C
    InChIKey: KJUCPVIVNLPLEE-UHFFFAOYSA-N
    InChI: InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)
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