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6 项目

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  1. 哈尔碱
    CAS号 : 442-51-3        Compound CID : 5280953
    分子式: C13H12N2O        分子量: 212.25
    IUPAC Name: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
    SMILES: CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC
    InChIKey: BXNJHAXVSOCGBA-UHFFFAOYSA-N
    InChI: InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
  2. GSK-J4,细组蛋白脱甲基酶JMJD3 / UTX抑制剂
    CAS号 : 1373423-53-0        Compound CID : 71729975
    分子式: C24H27N5O2        分子量: 417.51
    IUPAC Name: ethyl 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate
    SMILES: CCOC(=O)CCNC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCC4=CC=CC=C4CC3
    InChIKey: WBKCKEHGXNWYMO-UHFFFAOYSA-N
    InChI: InChI=1S/C24H27N5O2/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28)
  3. 来他替尼
    CAS号 : 111358-88-4        Compound CID : 126565
    分子式: C26H21N3O4        分子量: 439.46
    IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
    SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O
    InChIKey: UIARLYUEJFELEN-LROUJFHJSA-N
    InChI: InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
  4. GSK-J1,H3K27组蛋白脱甲基酶抑制剂
    CAS号 : 1373422-53-7        Compound CID : 56963315
    分子式: C22H23N5O2        分子量: 389.46
    IUPAC Name: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
    SMILES: C1CN(CCC2=CC=CC=C21)C3=NC(=NC(=C3)NCCC(=O)O)C4=CC=CC=N4
    InChIKey: AVZCPICCWKMZDT-UHFFFAOYSA-N
    InChI: InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
  5. LY255283,BLT2受体拮抗剂
    CAS号 : 117690-79-6        Compound CID : 122023
    分子式: C19H28N4O3        分子量: 360.5
    IUPAC Name: 1-[5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenyl]ethanone
    SMILES: CCC1=CC(=C(C=C1OCCCCCC(C)(C)C2=NNN=N2)O)C(=O)C
    InChIKey: WCGXJPFHTHQNJL-UHFFFAOYSA-N
    InChI: InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)
  6. Adavivint (SM04690)
    CAS号 : 1467093-03-3        Compound CID : 135565709
    分子式: C29H24FN7O        分子量: 505.55
    IUPAC Name: N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-yl]-3-methylbutanamide
    SMILES: CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC3=C(C=C2)NN=C3C4=NC5=C(N4)C=NC=C5C6=CC(=CC=C6)F
    InChIKey: AQDWDWAYVBQMAM-UHFFFAOYSA-N
    InChI: InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)
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