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7 项目

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  1. TRAM-34,K Ca 3.1通道阻滞剂
    CAS号 : 289905-88-0        Compound CID : 656734
    分子式: C22H17ClN2        分子量: 344.84
    IUPAC Name: 1-[(2-chlorophenyl)-diphenylmethyl]pyrazole
    SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CC=N4
    InChIKey: KBFUQFVFYYBHBT-UHFFFAOYSA-N
    InChI: InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H
  2. 伯舒替尼 (SKI-606)
    CAS号 : 380843-75-4        Compound CID : 5328940
    分子式: C26H29Cl2N5O3        分子量: 530.45
    IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
    SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC
    InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N
    InChI: InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
  3. 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)
  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. NS 6180,KCa3.1(IK)通道阻止器
    CAS号 : 353262-04-1        Compound CID : 11837221
    分子式: C16H12F3NOS        分子量: 323.33
    IUPAC Name: 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one
    SMILES: C1C(=O)N(C2=CC=CC=C2S1)CC3=CC(=CC=C3)C(F)(F)F
    InChIKey: ZUIJXKLTUFCDGO-UHFFFAOYSA-N
    InChI: InChI=1S/C16H12F3NOS/c17-16(18,19)12-5-3-4-11(8-12)9-20-13-6-1-2-7-14(13)22-10-15(20)21/h1-8H,9-10H2
  6. Losmapimod
    CAS号 : 585543-15-3        Compound CID : 11552706
    分子式: C22H26FN3O2        分子量: 383.46
    IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
    SMILES: CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C(C=C3)C(=O)NCC(C)(C)C
    InChIKey: KKYABQBFGDZVNQ-UHFFFAOYSA-N
    InChI: InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)
  7. Losmapimod
    CAS号 : 585543-15-3        Compound CID : 11552706
    分子式: C22H26FN3O2        分子量: 383.46
    IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
    SMILES: CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C(C=C3)C(=O)NCC(C)(C)C
    InChIKey: KKYABQBFGDZVNQ-UHFFFAOYSA-N
    InChI: InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)
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