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6 项目

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  1. ML130 (Nodinitib-1),NOD1抑制剂
    CAS号 : 799264-47-4        Compound CID : 1088438
    分子式: C14H13N3O2S        分子量: 287.34
    IUPAC Name: 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine
    SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2N
    InChIKey: SRFABRWQVPCPRG-UHFFFAOYSA-N
    InChI: InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
  2. AN-2728,PDE4和cytokine释放抑制剂
    CAS号 : 906673-24-3        Compound CID : 44591583
    分子式: C14H10BNO3        分子量: 251.05
    IUPAC Name: 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile
    SMILES: B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)O
    InChIKey: USZAGAREISWJDP-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
  3. 2-(2,6-二氯苯氨基)苯乙酸
    CAS号 : 15307-86-5       
    分子式: C14H11Cl2NO2        分子量: 296.15
    IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid
    SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl
    InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
  4. 托麦汀
    CAS号 : 26171-23-3        Compound CID : 5509
    分子式: C15H15NO3        分子量: 257.28
    IUPAC Name: 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid
    SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O
    InChIKey: UPSPUYADGBWSHF-UHFFFAOYSA-N
    InChI: InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)
  5. 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
  6. 托麦汀
    CAS号 : 26171-23-3        Compound CID : 5509
    分子式: C15H15NO3        分子量: 257.28
    IUPAC Name: 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid
    SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O
    InChIKey: UPSPUYADGBWSHF-UHFFFAOYSA-N
    InChI: InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)
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